Tuesday, April 3, 2012

http://ChemLookup.com Compounds




CAS RN: 86465-05-6
CAS Name: 6-methyl-4-oxo-3-phenyliodonio-1H-pyridin-2-olate
OPENEYE Name: 6-methyl-4-oxo-3-phenyliodonio-1H-pyridin-2-olate
IUPAC Name: 6-methyl-4-oxo-3-phenyliodonio-1H-pyridin-2-olate
SYSTEMATIC NAME: 6-methyl-4-oxidanylidene-3-phenyliodonio-1H-pyridin-2-olate
MOLECULAR FORMULA: C12H10INO2
MOLECULAR WEIGHT: 327.11777
SMILES: CC1=CC(=O)C(=C(N1)[O-])[I+]C2=CC=CC=C2
Structure:

CAS RN: 158951-24-7
CAS Name: (E)-2-cyano-3-ethoxy-2-butenamide
OPENEYE Name: (E)-2-cyano-3-ethoxy-but-2-enamide
IUPAC Name: (E)-2-cyano-3-ethoxybut-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-3-ethoxy-but-2-enamide
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: CCO/C(=C(\C#N)/C(=O)N)/C
Structure:

CAS RN: 4887-74-5
CAS Name: N,N'-diphenylpropanedithioamide
OPENEYE Name: N,N'-diphenylpropanedithioamide
IUPAC Name: N,N'-diphenylpropanedithioamide
SYSTEMATIC NAME: N,N'-diphenylpropanedithioamide
MOLECULAR FORMULA: C15H14N2S2
MOLECULAR WEIGHT: 286.41506
SMILES: C1=CC=C(C=C1)NC(=S)CC(=S)NC2=CC=CC=C2
Structure:

CAS RN: 53312-80-4
CAS Name: 4-amino-2-fluorobenzonitrile
OPENEYE Name: 4-amino-2-fluoro-benzonitrile
IUPAC Name: 4-amino-2-fluorobenzonitrile
SYSTEMATIC NAME: 4-azanyl-2-fluoranyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H5FN2
MOLECULAR WEIGHT: 136.126403
SMILES: C1=CC(=C(C=C1N)F)C#N
Structure:

CAS RN: 133059-43-5
CAS Name: 4-bromo-3-fluorobenzaldehyde
OPENEYE Name: 4-bromo-3-fluoro-benzaldehyde
IUPAC Name: 4-bromo-3-fluorobenzaldehyde
SYSTEMATIC NAME: 4-bromanyl-3-fluoranyl-benzaldehyde
MOLECULAR FORMULA: C7H4BrFO
MOLECULAR WEIGHT: 203.008463
SMILES: C1=CC(=C(C=C1C=O)F)Br
Structure:

CAS RN: 138716-60-6
CAS Name: (E)-2-[(2,4-difluorophenyl)-oxomethyl]-3-(dimethylamino)-2-propenenitrile
OPENEYE Name: (E)-2-(2,4-difluorobenzoyl)-3-(dimethylamino)prop-2-enenitrile
IUPAC Name: (E)-2-(2,4-difluorobenzoyl)-3-(dimethylamino)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-[2,4-bis(fluoranyl)phenyl]carbonyl-3-(dimethylamino)prop-2-enenitrile
MOLECULAR FORMULA: C12H10F2N2O
MOLECULAR WEIGHT: 236.217406
SMILES: CN(C)/C=C(\C#N)/C(=O)C1=C(C=C(C=C1)F)F
Structure:

CAS RN: 359-58-0
CAS Name: 1-chloro-1,1,2,3,3,3-hexafluoropropane
OPENEYE Name: 1-chloro-1,1,2,3,3,3-hexafluoro-propane
IUPAC Name: 1-chloro-1,1,2,3,3,3-hexafluoropropane
SYSTEMATIC NAME: 1-chloranyl-1,1,2,3,3,3-hexakis(fluoranyl)propane
MOLECULAR FORMULA: C3HClF6
MOLECULAR WEIGHT: 186.483459
SMILES: C(C(F)(F)F)(C(F)(F)Cl)F
Structure:

CAS RN: 319-24-4
CAS Name: 2-amino-5-fluorobenzoic acid methyl ester
OPENEYE Name: methyl 2-amino-5-fluoro-benzoate
IUPAC Name: methyl 2-amino-5-fluorobenzoate
SYSTEMATIC NAME: methyl 2-azanyl-5-fluoranyl-benzoate
MOLECULAR FORMULA: C8H8FNO2
MOLECULAR WEIGHT: 169.153023
SMILES: COC(=O)C1=C(C=CC(=C1)F)N
Structure:

CAS RN: 378-81-4
CAS Name: 4-chloro-1,1,2-trifluoro-1-butene
OPENEYE Name: 4-chloro-1,1,2-trifluoro-but-1-ene
IUPAC Name: 4-chloro-1,1,2-trifluorobut-1-ene
SYSTEMATIC NAME: 4-chloranyl-1,1,2-tris(fluoranyl)but-1-ene
MOLECULAR FORMULA: C4H4ClF3
MOLECULAR WEIGHT: 144.52277
SMILES: C(CCl)C(=C(F)F)F
Structure:

CAS RN: 351019-18-6
CAS Name: (6-fluoro-3-pyridinyl)boronic acid
OPENEYE Name: (6-fluoro-3-pyridyl)boronic acid
IUPAC Name: (6-fluoropyridin-3-yl)boronic acid
SYSTEMATIC NAME: (6-fluoranylpyridin-3-yl)boronic acid
MOLECULAR FORMULA: C5H5BFNO2
MOLECULAR WEIGHT: 140.908103
SMILES: B(C1=CN=C(C=C1)F)(O)O
Structure:

CAS RN: 401815-98-3
CAS Name: (2-fluoro-4-pyridinyl)boronic acid
OPENEYE Name: (2-fluoro-4-pyridyl)boronic acid
IUPAC Name: (2-fluoropyridin-4-yl)boronic acid
SYSTEMATIC NAME: (2-fluoranylpyridin-4-yl)boronic acid
MOLECULAR FORMULA: C5H5BFNO2
MOLECULAR WEIGHT: 140.908103
SMILES: B(C1=CC(=NC=C1)F)(O)O
Structure:

CAS RN: 115661-37-5
CAS Name: 2-amino-3-fluorobenzonitrile
OPENEYE Name: 2-amino-3-fluoro-benzonitrile
IUPAC Name: 2-amino-3-fluorobenzonitrile
SYSTEMATIC NAME: 2-azanyl-3-fluoranyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H5FN2
MOLECULAR WEIGHT: 136.126403
SMILES: C1=CC(=C(C(=C1)F)N)C#N
Structure:

CAS RN: 832755-13-2
CAS Name: 2-fluoro-4-methylsulfonylaniline
OPENEYE Name: 2-fluoro-4-methylsulfonyl-aniline
IUPAC Name: 2-fluoro-4-methylsulfonylaniline
SYSTEMATIC NAME: 2-fluoranyl-4-methylsulfonyl-aniline
MOLECULAR FORMULA: C7H8FNO2S
MOLECULAR WEIGHT: 189.207323
SMILES: CS(=O)(=O)C1=CC(=C(C=C1)N)F
Structure:

CAS RN: 261635-77-2
CAS Name: 6-chloro-4-(trifluoromethyl)-3-pyridinecarboxylic acid
OPENEYE Name: 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid
IUPAC Name: 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid
SYSTEMATIC NAME: 6-chloranyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H3ClF3NO2
MOLECULAR WEIGHT: 225.55243
SMILES: C1=C(C(=CN=C1Cl)C(=O)O)C(F)(F)F
Structure:

CAS RN: 27407-11-0
CAS Name: 3-bromo-4-fluorophenol
OPENEYE Name: 3-bromo-4-fluoro-phenol
IUPAC Name: 3-bromo-4-fluorophenol
SYSTEMATIC NAME: 3-bromanyl-4-fluoranyl-phenol
MOLECULAR FORMULA: C6H4BrFO
MOLECULAR WEIGHT: 190.997763
SMILES: C1=CC(=C(C=C1O)Br)F
Structure:

CAS RN: 145742-65-0
CAS Name: 2-methoxy-5-(trifluoromethoxy)benzaldehyde
OPENEYE Name: 2-methoxy-5-(trifluoromethoxy)benzaldehyde
IUPAC Name: 2-methoxy-5-(trifluoromethoxy)benzaldehyde
SYSTEMATIC NAME: 2-methoxy-5-(trifluoromethyloxy)benzaldehyde
MOLECULAR FORMULA: C9H7F3O3
MOLECULAR WEIGHT: 220.14529
SMILES: COC1=C(C=C(C=C1)OC(F)(F)F)C=O
Structure:

CAS RN: 1547-29-1
CAS Name: 3-fluoro-1H-pyridin-2-one
OPENEYE Name: 3-fluoro-1H-pyridin-2-one
IUPAC Name: 3-fluoro-1H-pyridin-2-one
SYSTEMATIC NAME: 3-fluoranyl-1H-pyridin-2-one
MOLECULAR FORMULA: C5H4FNO
MOLECULAR WEIGHT: 113.089763
SMILES: C1=CNC(=O)C(=C1)F
Structure:

CAS RN: 321-23-3
CAS Name: 4-bromo-2-fluoro-1-nitrobenzene
OPENEYE Name: 4-bromo-2-fluoro-1-nitro-benzene
IUPAC Name: 4-bromo-2-fluoro-1-nitrobenzene
SYSTEMATIC NAME: 4-bromanyl-2-fluoranyl-1-nitro-benzene
MOLECULAR FORMULA: C6H3BrFNO2
MOLECULAR WEIGHT: 219.995923
SMILES: C1=CC(=C(C=C1Br)F)[N+](=O)[O-]
Structure:

CAS RN: 158364-83-1
CAS Name: 2-fluoro-4-methyl-1-(trifluoromethyl)benzene
OPENEYE Name: 2-fluoro-4-methyl-1-(trifluoromethyl)benzene
IUPAC Name: 2-fluoro-4-methyl-1-(trifluoromethyl)benzene
SYSTEMATIC NAME: 2-fluoranyl-4-methyl-1-(trifluoromethyl)benzene
MOLECULAR FORMULA: C8H6F4
MOLECULAR WEIGHT: 178.126853
SMILES: CC1=CC(=C(C=C1)C(F)(F)F)F
Structure:

CAS RN: 400-94-2
CAS Name: 4-fluoro-3-nitrobenzoyl chloride
OPENEYE Name: 4-fluoro-3-nitro-benzoyl chloride
IUPAC Name: 4-fluoro-3-nitrobenzoyl chloride
SYSTEMATIC NAME: 4-fluoranyl-3-nitro-benzoyl chloride
MOLECULAR FORMULA: C7H3ClFNO3
MOLECULAR WEIGHT: 203.555023
SMILES: C1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])F
Structure:

CAS RN: 95383-36-1
CAS Name: 2-bromo-4-fluorobenzoyl chloride
OPENEYE Name: 2-bromo-4-fluoro-benzoyl chloride
IUPAC Name: 2-bromo-4-fluorobenzoyl chloride
SYSTEMATIC NAME: 2-bromanyl-4-fluoranyl-benzoyl chloride
MOLECULAR FORMULA: C7H3BrClFO
MOLECULAR WEIGHT: 237.453523
SMILES: C1=CC(=C(C=C1F)Br)C(=O)Cl
Structure:

CAS RN: 887266-90-2
CAS Name: 3-bromo-5-fluorobenzoyl chloride
OPENEYE Name: 3-bromo-5-fluoro-benzoyl chloride
IUPAC Name: 3-bromo-5-fluorobenzoyl chloride
SYSTEMATIC NAME: 3-bromanyl-5-fluoranyl-benzoyl chloride
MOLECULAR FORMULA: C7H3BrClFO
MOLECULAR WEIGHT: 237.453523
SMILES: C1=C(C=C(C=C1F)Br)C(=O)Cl
Structure:

CAS RN: 41463-83-6
CAS Name: 3,3,3-trifluoropropanoyl chloride
OPENEYE Name: 3,3,3-trifluoropropanoyl chloride
IUPAC Name: 3,3,3-trifluoropropanoyl chloride
SYSTEMATIC NAME: 3,3,3-tris(fluoranyl)propanoyl chloride
MOLECULAR FORMULA: C3H2ClF3O
MOLECULAR WEIGHT: 146.49559
SMILES: C(C(=O)Cl)C(F)(F)F
Structure:

CAS RN: 60598-17-6
CAS Name: 1,1,2,2-tetrafluoro-3-methoxypropane
OPENEYE Name: 1,1,2,2-tetrafluoro-3-methoxy-propane
IUPAC Name: 1,1,2,2-tetrafluoro-3-methoxypropane
SYSTEMATIC NAME: 1,1,2,2-tetrakis(fluoranyl)-3-methoxy-propane
MOLECULAR FORMULA: C4H6F4O
MOLECULAR WEIGHT: 146.083453
SMILES: COCC(C(F)F)(F)F
Structure:

CAS RN: 179898-34-1
CAS Name: 3-bromo-5-fluorobenzonitrile
OPENEYE Name: 3-bromo-5-fluoro-benzonitrile
IUPAC Name: 3-bromo-5-fluorobenzonitrile
SYSTEMATIC NAME: 3-bromanyl-5-fluoranyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3BrFN
MOLECULAR WEIGHT: 200.007823
SMILES: C1=C(C=C(C=C1F)Br)C#N
Structure:

CAS RN: 191014-55-8
CAS Name: 4-fluoro-2-methoxybenzonitrile
OPENEYE Name: 4-fluoro-2-methoxy-benzonitrile
IUPAC Name: 4-fluoro-2-methoxybenzonitrile
SYSTEMATIC NAME: 4-fluoranyl-2-methoxy-benzenecarbonitrile
MOLECULAR FORMULA: C8H6FNO
MOLECULAR WEIGHT: 151.137743
SMILES: COC1=C(C=CC(=C1)F)C#N
Structure:

CAS RN: 886497-81-0
CAS Name: 2-fluoro-5-(trifluoromethoxy)benzaldehyde
OPENEYE Name: 2-fluoro-5-(trifluoromethoxy)benzaldehyde
IUPAC Name: 2-fluoro-5-(trifluoromethoxy)benzaldehyde
SYSTEMATIC NAME: 2-fluoranyl-5-(trifluoromethyloxy)benzaldehyde
MOLECULAR FORMULA: C8H4F4O2
MOLECULAR WEIGHT: 208.109773
SMILES: C1=CC(=C(C=C1OC(F)(F)F)C=O)F
Structure:

CAS RN: 163444-17-5
CAS Name: 2-iodo-4-(trifluoromethyl)aniline
OPENEYE Name: 2-iodo-4-(trifluoromethyl)aniline
IUPAC Name: 2-iodo-4-(trifluoromethyl)aniline
SYSTEMATIC NAME: 2-iodanyl-4-(trifluoromethyl)aniline
MOLECULAR FORMULA: C7H5F3IN
MOLECULAR WEIGHT: 287.02098
SMILES: C1=CC(=C(C=C1C(F)(F)F)I)N
Structure:

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