ChemLookup: December 2012

Sunday, December 16, 2012

http://ChemLookup.com Compounds

CAS RN: 42149-74-6
CAS Name: 1-(2-chloroethoxy)propane
OPENEYE Name: 1-(2-chloroethoxy)propane
IUPAC Name: 1-(2-chloroethoxy)propane
SYSTEMATIC NAME: 1-(2-chloroethyloxy)propane
MOLECULAR FORMULA: C5H11ClO
MOLECULAR WEIGHT: 122.59324
SMILES: CCCOCCCl
Structure:

CAS RN: 42019-78-3
CAS Name: (4-chlorophenyl)-(4-hydroxyphenyl)methanone
OPENEYE Name: (4-chlorophenyl)-(4-hydroxyphenyl)methanone
IUPAC Name: (4-chlorophenyl)-(4-hydroxyphenyl)methanone
SYSTEMATIC NAME: (4-chlorophenyl)-(4-hydroxyphenyl)methanone
MOLECULAR FORMULA: C13H9ClO2
MOLECULAR WEIGHT: 232.66236
SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)O
Structure:

CAS RN: 4396-71-8
CAS Name: 1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane
OPENEYE Name: 1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane
IUPAC Name: 1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane
SYSTEMATIC NAME: 1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane
MOLECULAR FORMULA: C14H32N4
MOLECULAR WEIGHT: 256.43068
SMILES: CN1CCCN(CCN(CCCN(CC1)C)C)C
Structure:

CAS RN: 41051-15-4
CAS Name: 4-methoxy-3-oxobutanoic acid methyl ester
OPENEYE Name: methyl 4-methoxy-3-oxo-butanoate
IUPAC Name: methyl 4-methoxy-3-oxobutanoate
SYSTEMATIC NAME: methyl 4-methoxy-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C6H10O4
MOLECULAR WEIGHT: 146.1412
SMILES: COCC(=O)CC(=O)OC
Structure:

CAS RN: 40889-91-6
CAS Name: 2-chloro-5-(trifluoromethyl)phenol
OPENEYE Name: 2-chloro-5-(trifluoromethyl)phenol
IUPAC Name: 2-chloro-5-(trifluoromethyl)phenol
SYSTEMATIC NAME: 2-chloranyl-5-(trifluoromethyl)phenol
MOLECULAR FORMULA: C7H4ClF3O
MOLECULAR WEIGHT: 196.55427
SMILES: C1=CC(=C(C=C1C(F)(F)F)O)Cl
Structure:

CAS RN: 4342-49-8
CAS Name: (4-methyl-3-nitrophenyl)methanol
OPENEYE Name: (4-methyl-3-nitro-phenyl)methanol
IUPAC Name: (4-methyl-3-nitrophenyl)methanol
SYSTEMATIC NAME: (4-methyl-3-nitro-phenyl)methanol
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: CC1=C(C=C(C=C1)CO)[N+](=O)[O-]
Structure:

CAS RN: 4271-19-6
CAS Name: nitric acid bromo ester
OPENEYE Name: bromo nitrate
IUPAC Name: bromo nitrate
SYSTEMATIC NAME: bromanyl nitrate
MOLECULAR FORMULA: BrNO3
MOLECULAR WEIGHT: 141.9089
SMILES: [N+](=O)([O-])OBr
Structure:

CAS RN: 39998-81-7
CAS Name: 2-fluoro-4-iodo-1-methylbenzene
OPENEYE Name: 2-fluoro-4-iodo-1-methyl-benzene
IUPAC Name: 2-fluoro-4-iodo-1-methylbenzene
SYSTEMATIC NAME: 2-fluoranyl-4-iodanyl-1-methyl-benzene
MOLECULAR FORMULA: C7H6FI
MOLECULAR WEIGHT: 236.025413
SMILES: CC1=C(C=C(C=C1)I)F
Structure:

CAS RN: 39905-45-8
CAS Name: 4-octoxyaniline
OPENEYE Name: 4-octoxyaniline
IUPAC Name: 4-octoxyaniline
SYSTEMATIC NAME: 4-octoxyaniline
MOLECULAR FORMULA: C14H23NO
MOLECULAR WEIGHT: 221.33852
SMILES: CCCCCCCCOC1=CC=C(C=C1)N
Structure:

CAS RN: 39811-17-1
CAS Name: 2-methoxy-5-phenylaniline
OPENEYE Name: 2-methoxy-5-phenyl-aniline
IUPAC Name: 2-methoxy-5-phenylaniline
SYSTEMATIC NAME: 2-methoxy-5-phenyl-aniline
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: COC1=C(C=C(C=C1)C2=CC=CC=C2)N
Structure:

CAS RN: 39777-05-4
CAS Name: 1-(4-butoxyphenyl)-N-(4-pentylphenyl)methanimine
OPENEYE Name: 1-(4-butoxyphenyl)-N-(4-pentylphenyl)methanimine
IUPAC Name: 1-(4-butoxyphenyl)-N-(4-pentylphenyl)methanimine
SYSTEMATIC NAME: 1-(4-butoxyphenyl)-N-(4-pentylphenyl)methanimine
MOLECULAR FORMULA: C22H29NO
MOLECULAR WEIGHT: 323.47176
SMILES: CCCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCCCC
Structure:

CAS RN: 39652-32-9
CAS Name: (3-chloro-4-methylphenyl)methanol
OPENEYE Name: (3-chloro-4-methyl-phenyl)methanol
IUPAC Name: (3-chloro-4-methylphenyl)methanol
SYSTEMATIC NAME: (3-chloranyl-4-methyl-phenyl)methanol
MOLECULAR FORMULA: C8H9ClO
MOLECULAR WEIGHT: 156.60946
SMILES: CC1=C(C=C(C=C1)CO)Cl
Structure:

CAS RN: 41499-78-9
CAS Name: (3-chloro-4-methylphenyl)methanol
OPENEYE Name: (3-chloro-4-methyl-phenyl)methanol
IUPAC Name: (3-chloro-4-methylphenyl)methanol
SYSTEMATIC NAME: (3-chloranyl-4-methyl-phenyl)methanol
MOLECULAR FORMULA: C8H9ClO
MOLECULAR WEIGHT: 156.60946
SMILES: CC1=C(C=C(C=C1)CO)Cl
Structure:

CAS RN: 39627-84-4
CAS Name: 2-naphthalenecarbohydrazide
OPENEYE Name: naphthalene-2-carbohydrazide
IUPAC Name: naphthalene-2-carbohydrazide
SYSTEMATIC NAME: naphthalene-2-carbohydrazide
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)NN
Structure:

CAS RN: 39536-61-3
CAS Name: N-butyl-1-pentanamine
OPENEYE Name: N-butylpentan-1-amine
IUPAC Name: N-butylpentan-1-amine
SYSTEMATIC NAME: N-butylpentan-1-amine
MOLECULAR FORMULA: C9H21N
MOLECULAR WEIGHT: 143.26974
SMILES: CCCCCNCCCC
Structure:

CAS RN: 39135-39-2
CAS Name: 2,6-dimethyl-1-piperidinamine
OPENEYE Name: 2,6-dimethylpiperidin-1-amine
IUPAC Name: 2,6-dimethylpiperidin-1-amine
SYSTEMATIC NAME: 2,6-dimethylpiperidin-1-amine
MOLECULAR FORMULA: C7H16N2
MOLECULAR WEIGHT: 128.21534
SMILES: CC1CCCC(N1N)C
Structure:

CAS RN: 4097-82-9
CAS Name: 2-(3,5-dimethylphenyl)acetonitrile
OPENEYE Name: 2-(3,5-dimethylphenyl)acetonitrile
IUPAC Name: 2-(3,5-dimethylphenyl)acetonitrile
SYSTEMATIC NAME: 2-(3,5-dimethylphenyl)ethanenitrile
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CC1=CC(=CC(=C1)CC#N)C
Structure:

http://ChemLookup.com Compounds

CAS RN: 55373-76-7
CAS Name: 1-ethynyl-1-cyclooctanol
OPENEYE Name: 1-ethynylcyclooctanol
IUPAC Name: 1-ethynylcyclooctan-1-ol
SYSTEMATIC NAME: 1-ethynylcyclooctan-1-ol
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: C#CC1(CCCCCCC1)O
Structure:

CAS RN: 55289-36-6
CAS Name: 3-bromo-2-methylaniline
OPENEYE Name: 3-bromo-2-methyl-aniline
IUPAC Name: 3-bromo-2-methylaniline
SYSTEMATIC NAME: 3-bromanyl-2-methyl-aniline
MOLECULAR FORMULA: C7H8BrN
MOLECULAR WEIGHT: 186.04912
SMILES: CC1=C(C=CC=C1Br)N
Structure:

CAS RN: 55289-35-5
CAS Name: 1-bromo-2-methyl-3-nitrobenzene
OPENEYE Name: 1-bromo-2-methyl-3-nitro-benzene
IUPAC Name: 1-bromo-2-methyl-3-nitrobenzene
SYSTEMATIC NAME: 1-bromanyl-2-methyl-3-nitro-benzene
MOLECULAR FORMULA: C7H6BrNO2
MOLECULAR WEIGHT: 216.03204
SMILES: CC1=C(C=CC=C1Br)[N+](=O)[O-]
Structure:

CAS RN: 55182-74-6
CAS Name: 3-tetradecyn-1-ol
OPENEYE Name: tetradec-3-yn-1-ol
IUPAC Name: tetradec-3-yn-1-ol
SYSTEMATIC NAME: tetradec-3-yn-1-ol
MOLECULAR FORMULA: C14H26O
MOLECULAR WEIGHT: 210.35564
SMILES: CCCCCCCCCCC#CCCO
Structure:

CAS RN: 55154-18-2
CAS Name: 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
OPENEYE Name: 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
IUPAC Name: 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
SYSTEMATIC NAME: 1,1,1,2,3,3-hexakis(fluoranyl)-2-[1,1,2,3,3,3-hexakis(fluoranyl)-2-[1,1,2,3,3,3-hexakis(fluoranyl)-2-[1,1,2,3,3,3-hexakis(fluoranyl)-2-[1,1,2,3,3,3-hexakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propoxy]propoxy]propoxy]propoxy]-3-[1,2,2,2-
MOLECULAR FORMULA: C20HF41O6
MOLECULAR WEIGHT: 1116.152871
SMILES: C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F
Structure:

CAS RN: 54819-86-2
CAS Name: 2-chloropropanoic acid butyl ester
OPENEYE Name: butyl 2-chloropropanoate
IUPAC Name: butyl 2-chloropropanoate
SYSTEMATIC NAME: butyl 2-chloranylpropanoate
MOLECULAR FORMULA: C7H13ClO2
MOLECULAR WEIGHT: 164.62992
SMILES: CCCCOC(=O)C(C)Cl
Structure:

CAS RN: 54149-17-6
CAS Name: 1-(2-bromoethoxy)-2-methoxyethane
OPENEYE Name: 1-(2-bromoethoxy)-2-methoxy-ethane
IUPAC Name: 1-(2-bromoethoxy)-2-methoxyethane
SYSTEMATIC NAME: 1-(2-bromoethyloxy)-2-methoxy-ethane
MOLECULAR FORMULA: C5H11BrO2
MOLECULAR WEIGHT: 183.04364
SMILES: COCCOCCBr
Structure:

CAS RN: 54100-60-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H12
MOLECULAR WEIGHT: 252.30928
SMILES: C1=CC=C2C(=C3C=CC4=CC=CC5=C4C3=C2C=C5)C=C1
Structure:

CAS RN: 40517-43-9
CAS Name: 1-(chloromethyl)-4-methylsulfonylbenzene
OPENEYE Name: 1-(chloromethyl)-4-methylsulfonyl-benzene
IUPAC Name: 1-(chloromethyl)-4-methylsulfonylbenzene
SYSTEMATIC NAME: 1-(chloromethyl)-4-methylsulfonyl-benzene
MOLECULAR FORMULA: C8H9ClO2S
MOLECULAR WEIGHT: 204.67386
SMILES: CS(=O)(=O)C1=CC=C(C=C1)CCl
Structure:

CAS RN: 109704-32-7
CAS Name: 1,3-diisothiocyanatopropane
OPENEYE Name: 1,3-diisothiocyanatopropane
IUPAC Name: 1,3-diisothiocyanatopropane
SYSTEMATIC NAME: 1,3-diisothiocyanatopropane
MOLECULAR FORMULA: C5H6N2S2
MOLECULAR WEIGHT: 158.24454
SMILES: C(CN=C=S)CN=C=S
Structure:

CAS RN: 52714-52-0
CAS Name: 1,3-diisothiocyanatopropane
OPENEYE Name: 1,3-diisothiocyanatopropane
IUPAC Name: 1,3-diisothiocyanatopropane
SYSTEMATIC NAME: 1,3-diisothiocyanatopropane
MOLECULAR FORMULA: C5H6N2S2
MOLECULAR WEIGHT: 158.24454
SMILES: C(CN=C=S)CN=C=S
Structure:

CAS RN: 52115-81-8
CAS Name: 2-[(2,6-dichlorophenyl)methyl]-4,5-dihydro-1H-imidazole
OPENEYE Name: 2-[(2,6-dichlorophenyl)methyl]-4,5-dihydro-1H-imidazole
IUPAC Name: 2-[(2,6-dichlorophenyl)methyl]-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-[[2,6-bis(chloranyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C10H10Cl2N2
MOLECULAR WEIGHT: 229.1058
SMILES: C1CN=C(N1)CC2=C(C=CC=C2Cl)Cl
Structure:

CAS RN: 51437-00-4
CAS Name: 4-bromo-1-fluoro-2-methylbenzene
OPENEYE Name: 4-bromo-1-fluoro-2-methyl-benzene
IUPAC Name: 4-bromo-1-fluoro-2-methylbenzene
SYSTEMATIC NAME: 4-bromanyl-1-fluoranyl-2-methyl-benzene
MOLECULAR FORMULA: C7H6BrF
MOLECULAR WEIGHT: 189.024943
SMILES: CC1=C(C=CC(=C1)Br)F
Structure:

CAS RN: 51309-10-5
CAS Name: 10-chloro-1-decanol
OPENEYE Name: 10-chlorodecan-1-ol
IUPAC Name: 10-chlorodecan-1-ol
SYSTEMATIC NAME: 10-chloranyldecan-1-ol
MOLECULAR FORMULA: C10H21ClO
MOLECULAR WEIGHT: 192.72614
SMILES: C(CCCCCCl)CCCCO
Structure:

CAS RN: 51174-44-8
CAS Name: 3-methyl-4-penten-1-ol
OPENEYE Name: 3-methylpent-4-en-1-ol
IUPAC Name: 3-methylpent-4-en-1-ol
SYSTEMATIC NAME: 3-methylpent-4-en-1-ol
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CC(CCO)C=C
Structure:

CAS RN: 52342-56-0
CAS Name: 1,1,3,3-tetramethylcyclopentane
OPENEYE Name: 1,1,3,3-tetramethylcyclopentane
IUPAC Name: 1,1,3,3-tetramethylcyclopentane
SYSTEMATIC NAME: 1,1,3,3-tetramethylcyclopentane
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: CC1(CCC(C1)(C)C)C
Structure:

CAS RN: 50262-49-2
CAS Name: butanoic acid (4-formylphenyl) ester
OPENEYE Name: (4-formylphenyl) butanoate
IUPAC Name: (4-formylphenyl) butanoate
SYSTEMATIC NAME: (4-methanoylphenyl) butanoate
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: CCCC(=O)OC1=CC=C(C=C1)C=O
Structure:

CAS RN: 50262-48-1
CAS Name: propanoic acid (4-formylphenyl) ester
OPENEYE Name: (4-formylphenyl) propanoate
IUPAC Name: (4-formylphenyl) propanoate
SYSTEMATIC NAME: (4-methanoylphenyl) propanoate
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: CCC(=O)OC1=CC=C(C=C1)C=O
Structure:

CAS RN: 45115-53-5
CAS Name: 2-methyl-2-propenoic acid 2,2,3,3,3-pentafluoropropyl ester
OPENEYE Name: 2,2,3,3,3-pentafluoropropyl 2-methylprop-2-enoate
IUPAC Name: 2,2,3,3,3-pentafluoropropyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2,2,3,3,3-pentakis(fluoranyl)propyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C7H7F5O2
MOLECULAR WEIGHT: 218.121296
SMILES: CC(=C)C(=O)OCC(C(F)(F)F)(F)F
Structure:

CAS RN: 43112-38-5
CAS Name: 3-trimethylsilyl-2-oxazolidinone
OPENEYE Name: 3-trimethylsilyloxazolidin-2-one
IUPAC Name: 3-trimethylsilyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-trimethylsilyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C6H13NO2Si
MOLECULAR WEIGHT: 159.25842
SMILES: C[Si](C)(C)N1CCOC1=O
Structure:

CAS RN: 43100-38-5
CAS Name: 4-tert-butylbenzohydrazide
OPENEYE Name: 4-tert-butylbenzohydrazide
IUPAC Name: 4-tert-butylbenzohydrazide
SYSTEMATIC NAME: 4-tert-butylbenzohydrazide
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NN
Structure:

CAS RN: 43083-12-1
CAS Name: 1,1,1-trimethoxybutane
OPENEYE Name: 1,1,1-trimethoxybutane
IUPAC Name: 1,1,1-trimethoxybutane
SYSTEMATIC NAME: 1,1,1-trimethoxybutane
MOLECULAR FORMULA: C7H16O3
MOLECULAR WEIGHT: 148.20014
SMILES: CCCC(OC)(OC)OC
Structure:

CAS RN: 4675-64-3
CAS Name: 1,1,1-trimethoxybutane
OPENEYE Name: 1,1,1-trimethoxybutane
IUPAC Name: 1,1,1-trimethoxybutane
SYSTEMATIC NAME: 1,1,1-trimethoxybutane
MOLECULAR FORMULA: C7H16O3
MOLECULAR WEIGHT: 148.20014
SMILES: CCCC(OC)(OC)OC
Structure:

CAS RN: 46755-94-6
CAS Name: 4-chloro-1-thiophen-2-yl-1-butanone
OPENEYE Name: 4-chloro-1-(2-thienyl)butan-1-one
IUPAC Name: 4-chloro-1-thiophen-2-ylbutan-1-one
SYSTEMATIC NAME: 4-chloranyl-1-thiophen-2-yl-butan-1-one
MOLECULAR FORMULA: C8H9ClOS
MOLECULAR WEIGHT: 188.67446
SMILES: C1=CSC(=C1)C(=O)CCCCl
Structure:

CAS RN: 42513-36-0
CAS Name: 12-chloro-5-dodecyne
OPENEYE Name: 12-chlorododec-5-yne
IUPAC Name: 12-chlorododec-5-yne
SYSTEMATIC NAME: 12-chloranyldodec-5-yne
MOLECULAR FORMULA: C12H21Cl
MOLECULAR WEIGHT: 200.74814
SMILES: CCCCC#CCCCCCCCl
Structure:

CAS RN: 42195-92-6
CAS Name: 2,3-dimethyl-1-cyclohexanamine
OPENEYE Name: 2,3-dimethylcyclohexanamine
IUPAC Name: 2,3-dimethylcyclohexan-1-amine
SYSTEMATIC NAME: 2,3-dimethylcyclohexan-1-amine
MOLECULAR FORMULA: C8H17N
MOLECULAR WEIGHT: 127.22728
SMILES: CC1CCCC(C1C)N
Structure:

http://ChemLookup.com Compounds

CAS RN: 85006-31-1
CAS Name: 3-amino-4-methyl-2-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 3-amino-4-methyl-thiophene-2-carboxylate
IUPAC Name: methyl 3-amino-4-methylthiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-azanyl-4-methyl-thiophene-2-carboxylate
MOLECULAR FORMULA: C7H9NO2S
MOLECULAR WEIGHT: 171.21686
SMILES: CC1=CSC(=C1N)C(=O)OC
Structure:

CAS RN: 89850-87-3
CAS Name: 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
OPENEYE Name: 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
IUPAC Name: 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SYSTEMATIC NAME: 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
MOLECULAR FORMULA: C8H15N3
MOLECULAR WEIGHT: 153.2248
SMILES: CN1CCCN2C1=NCCC2
Structure:

CAS RN: 81228-09-3
CAS Name: 2-(2,4-difluorophenyl)acetic acid
OPENEYE Name: 2-(2,4-difluorophenyl)acetic acid
IUPAC Name: 2-(2,4-difluorophenyl)acetic acid
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C8H6F2O2
MOLECULAR WEIGHT: 172.128846
SMILES: C1=CC(=C(C=C1F)F)CC(=O)O
Structure:

CAS RN: 79630-23-2
CAS Name: 3-bromo-4-fluorobenzonitrile
OPENEYE Name: 3-bromo-4-fluoro-benzonitrile
IUPAC Name: 3-bromo-4-fluorobenzonitrile
SYSTEMATIC NAME: 3-bromanyl-4-fluoranyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3BrFN
MOLECULAR WEIGHT: 200.007823
SMILES: C1=CC(=C(C=C1C#N)Br)F
Structure:

CAS RN: 78560-45-9
CAS Name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
OPENEYE Name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
IUPAC Name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SYSTEMATIC NAME: tris(chloranyl)-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]silane
MOLECULAR FORMULA: C8H4Cl3F13Si
MOLECULAR WEIGHT: 481.541102
SMILES: C(C[Si](Cl)(Cl)Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:

CAS RN: 83008-70-2
CAS Name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
OPENEYE Name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
IUPAC Name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SYSTEMATIC NAME: tris(chloranyl)-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]silane
MOLECULAR FORMULA: C8H4Cl3F13Si
MOLECULAR WEIGHT: 481.541102
SMILES: C(C[Si](Cl)(Cl)Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:

CAS RN: 78560-44-8
CAS Name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
OPENEYE Name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
IUPAC Name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
SYSTEMATIC NAME: tris(chloranyl)-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl]silane
MOLECULAR FORMULA: C10H4Cl3F17Si
MOLECULAR WEIGHT: 581.556114
SMILES: C(C[Si](Cl)(Cl)Cl)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:

CAS RN: 75462-59-8
CAS Name: 1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene
OPENEYE Name: 1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene
IUPAC Name: 1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene
MOLECULAR FORMULA: C9H5ClF6
MOLECULAR WEIGHT: 262.579419
SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CCl
Structure:

CAS RN: 75279-55-9
CAS Name: 2-(2-chloro-6-fluorophenyl)acetonitrile
OPENEYE Name: 2-(2-chloro-6-fluoro-phenyl)acetonitrile
IUPAC Name: 2-(2-chloro-6-fluorophenyl)acetonitrile
SYSTEMATIC NAME: 2-(2-chloranyl-6-fluoranyl-phenyl)ethanenitrile
MOLECULAR FORMULA: C8H5ClFN
MOLECULAR WEIGHT: 169.583403
SMILES: C1=CC(=C(C(=C1)Cl)CC#N)F
Structure:

CAS RN: 73609-36-6
CAS Name: dichloro-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
OPENEYE Name: dichloro-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
IUPAC Name: dichloro-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SYSTEMATIC NAME: bis(chloranyl)-methyl-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]silane
MOLECULAR FORMULA: C9H7Cl2F13Si
MOLECULAR WEIGHT: 461.122622
SMILES: C[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)Cl
Structure:

CAS RN: 72235-53-1
CAS Name: (3,4-difluorophenyl)methanamine
OPENEYE Name: (3,4-difluorophenyl)methanamine
IUPAC Name: (3,4-difluorophenyl)methanamine
SYSTEMATIC NAME: [3,4-bis(fluoranyl)phenyl]methanamine
MOLECULAR FORMULA: C7H7F2N
MOLECULAR WEIGHT: 143.133986
SMILES: C1=CC(=C(C=C1CN)F)F
Structure:

CAS RN: 74799-62-5
CAS Name: (2,3,4-trimethoxyphenyl)methanol
OPENEYE Name: (2,3,4-trimethoxyphenyl)methanol
IUPAC Name: (2,3,4-trimethoxyphenyl)methanol
SYSTEMATIC NAME: (2,3,4-trimethoxyphenyl)methanol
MOLECULAR FORMULA: C10H14O4
MOLECULAR WEIGHT: 198.21576
SMILES: COC1=C(C(=C(C=C1)CO)OC)OC
Structure:

CAS RN: 71637-34-8
CAS Name: 3-thiophenylmethanol
OPENEYE Name: 3-thienylmethanol
IUPAC Name: thiophen-3-ylmethanol
SYSTEMATIC NAME: thiophen-3-ylmethanol
MOLECULAR FORMULA: C5H6OS
MOLECULAR WEIGHT: 114.16554
SMILES: C1=CSC=C1CO
Structure:

CAS RN: 10124-53-5
CAS Name: (4-bromophenyl)-cyclopropylmethanol
OPENEYE Name: (4-bromophenyl)-cyclopropyl-methanol
IUPAC Name: (4-bromophenyl)-cyclopropylmethanol
SYSTEMATIC NAME: (4-bromophenyl)-cyclopropyl-methanol
MOLECULAR FORMULA: C10H11BrO
MOLECULAR WEIGHT: 227.09774
SMILES: C1CC1C(C2=CC=C(C=C2)Br)O
Structure:

CAS RN: 70289-39-3
CAS Name: (4-bromophenyl)-cyclopropylmethanol
OPENEYE Name: (4-bromophenyl)-cyclopropyl-methanol
IUPAC Name: (4-bromophenyl)-cyclopropylmethanol
SYSTEMATIC NAME: (4-bromophenyl)-cyclopropyl-methanol
MOLECULAR FORMULA: C10H11BrO
MOLECULAR WEIGHT: 227.09774
SMILES: C1CC1C(C2=CC=C(C=C2)Br)O
Structure:

CAS RN: 70289-37-1
CAS Name: cyclohexanecarboxylic acid nonyl ester
OPENEYE Name: nonyl cyclohexanecarboxylate
IUPAC Name: nonyl cyclohexanecarboxylate
SYSTEMATIC NAME: nonyl cyclohexanecarboxylate
MOLECULAR FORMULA: C16H30O2
MOLECULAR WEIGHT: 254.4082
SMILES: CCCCCCCCCOC(=O)C1CCCCC1
Structure:

CAS RN: 69739-34-0
CAS Name: trifluoromethanesulfonic acid [tert-butyl(dimethyl)silyl] ester
OPENEYE Name: [tert-butyl(dimethyl)silyl] trifluoromethanesulfonate
IUPAC Name: [tert-butyl(dimethyl)silyl] trifluoromethanesulfonate
SYSTEMATIC NAME: [tert-butyl(dimethyl)silyl] tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C7H15F3O3SSi
MOLECULAR WEIGHT: 264.33791
SMILES: CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
Structure:

CAS RN: 69385-30-4
CAS Name: (2,6-difluorophenyl)methanamine
OPENEYE Name: (2,6-difluorophenyl)methanamine
IUPAC Name: (2,6-difluorophenyl)methanamine
SYSTEMATIC NAME: [2,6-bis(fluoranyl)phenyl]methanamine
MOLECULAR FORMULA: C7H7F2N
MOLECULAR WEIGHT: 143.133986
SMILES: C1=CC(=C(C(=C1)F)CN)F
Structure:

CAS RN: 64248-64-2
CAS Name: 2,5-difluorobenzonitrile
OPENEYE Name: 2,5-difluorobenzonitrile
IUPAC Name: 2,5-difluorobenzonitrile
SYSTEMATIC NAME: 2,5-bis(fluoranyl)benzenecarbonitrile
MOLECULAR FORMULA: C7H3F2N
MOLECULAR WEIGHT: 139.102226
SMILES: C1=CC(=C(C=C1F)C#N)F
Structure:

CAS RN: 64248-56-2
CAS Name: 2-bromo-1,3-difluorobenzene
OPENEYE Name: 2-bromo-1,3-difluoro-benzene
IUPAC Name: 2-bromo-1,3-difluorobenzene
SYSTEMATIC NAME: 2-bromanyl-1,3-bis(fluoranyl)benzene
MOLECULAR FORMULA: C6H3BrF2
MOLECULAR WEIGHT: 192.988826
SMILES: C1=CC(=C(C(=C1)F)Br)F
Structure:

CAS RN: 63469-11-4
CAS Name: 1-nitro-4-pentoxybenzene
OPENEYE Name: 1-nitro-4-pentoxy-benzene
IUPAC Name: 1-nitro-4-pentoxybenzene
SYSTEMATIC NAME: 1-nitro-4-pentoxy-benzene
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: CCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
Structure:

CAS RN: 62373-80-2
CAS Name: 3-(4-methoxyphenoxy)benzaldehyde
OPENEYE Name: 3-(4-methoxyphenoxy)benzaldehyde
IUPAC Name: 3-(4-methoxyphenoxy)benzaldehyde
SYSTEMATIC NAME: 3-(4-methoxyphenoxy)benzaldehyde
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: COC1=CC=C(C=C1)OC2=CC=CC(=C2)C=O
Structure:

CAS RN: 61292-90-8
CAS Name: 3-(4-hydroxy-3-methoxyphenyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-(4-hydroxy-3-methoxy-phenyl)propanoate
IUPAC Name: ethyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
SYSTEMATIC NAME: ethyl 3-(3-methoxy-4-oxidanyl-phenyl)propanoate
MOLECULAR FORMULA: C12H16O4
MOLECULAR WEIGHT: 224.25304
SMILES: CCOC(=O)CCC1=CC(=C(C=C1)O)OC
Structure:

CAS RN: 60956-26-5
CAS Name: 4-bromo-1-methyl-2-nitrobenzene
OPENEYE Name: 4-bromo-1-methyl-2-nitro-benzene
IUPAC Name: 4-bromo-1-methyl-2-nitrobenzene
SYSTEMATIC NAME: 4-bromanyl-1-methyl-2-nitro-benzene
MOLECULAR FORMULA: C7H6BrNO2
MOLECULAR WEIGHT: 216.03204
SMILES: CC1=C(C=C(C=C1)Br)[N+](=O)[O-]
Structure: