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:
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