CAS RN: 1012305-33-7
CAS Name: (1R)-1-(3-chloro-4-fluorophenyl)ethanamine
OPENEYE Name: (1R)-1-(3-chloro-4-fluoro-phenyl)ethanamine
IUPAC Name: (1R)-1-(3-chloro-4-fluorophenyl)ethanamine
SYSTEMATIC NAME: (1R)-1-(3-chloranyl-4-fluoranyl-phenyl)ethanamine
MOLECULAR FORMULA: C8H9ClFN
MOLECULAR WEIGHT: 173.615163
SMILES: C[C@H](C1=CC(=C(C=C1)F)Cl)N
Structure:
CAS RN: 1036451-65-6
CAS Name: 2-amino-4-fluoro-N-methylbenzenesulfonamide
OPENEYE Name: 2-amino-4-fluoro-N-methyl-benzenesulfonamide
IUPAC Name: 2-amino-4-fluoro-N-methylbenzenesulfonamide
SYSTEMATIC NAME: 2-azanyl-4-fluoranyl-N-methyl-benzenesulfonamide
MOLECULAR FORMULA: C7H9FN2O2S
MOLECULAR WEIGHT: 204.221963
SMILES: CNS(=O)(=O)C1=C(C=C(C=C1)F)N
Structure:
CAS RN: 1032225-94-7
CAS Name: (1R)-1-(2,5-dimethylphenyl)-1-propanamine
OPENEYE Name: (1R)-1-(2,5-dimethylphenyl)propan-1-amine
IUPAC Name: (1R)-1-(2,5-dimethylphenyl)propan-1-amine
SYSTEMATIC NAME: (1R)-1-(2,5-dimethylphenyl)propan-1-amine
MOLECULAR FORMULA: C11H17N
MOLECULAR WEIGHT: 163.25938
SMILES: CC[C@H](C1=C(C=CC(=C1)C)C)N
Structure:
CAS RN: 870849-68-6
CAS Name: (1S)-1-(2-fluoro-6-methoxyphenyl)ethanamine
OPENEYE Name: (1S)-1-(2-fluoro-6-methoxy-phenyl)ethanamine
IUPAC Name: (1S)-1-(2-fluoro-6-methoxyphenyl)ethanamine
SYSTEMATIC NAME: (1S)-1-(2-fluoranyl-6-methoxy-phenyl)ethanamine
MOLECULAR FORMULA: C9H12FNO
MOLECULAR WEIGHT: 169.196083
SMILES: C[C@@H](C1=C(C=CC=C1F)OC)N
Structure:
CAS RN: 129297-52-5
CAS Name: (2S)-1-(4-cyanophenyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: C1C[C@H](N(C1)C2=CC=C(C=C2)C#N)C(=O)O
Structure:
CAS RN: 550300-30-6
CAS Name: 2-(3-hydroxyphenyl)-3H-benzimidazole-5-carboxylate
OPENEYE Name: 2-(3-hydroxyphenyl)-3H-benzimidazole-5-carboxylate
IUPAC Name: 2-(3-hydroxyphenyl)-3H-benzimidazole-5-carboxylate
SYSTEMATIC NAME: 2-(3-hydroxyphenyl)-3H-benzimidazole-5-carboxylate
MOLECULAR FORMULA: C14H9N2O3-
MOLECULAR WEIGHT: 253.23286
SMILES: C1=CC(=CC(=C1)O)C2=NC3=C(N2)C=C(C=C3)C(=O)[O-]
Structure:
CAS RN: 948581-62-2
CAS Name: 7-ethyl-1H-indole-3-carboxylic acid
OPENEYE Name: 7-ethyl-1H-indole-3-carboxylic acid
IUPAC Name: 7-ethyl-1H-indole-3-carboxylic acid
SYSTEMATIC NAME: 7-ethyl-1H-indole-3-carboxylic acid
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: CCC1=CC=CC2=C1NC=C2C(=O)O
Structure:
CAS RN: 59247-47-1
CAS Name: 4-bromo-2-tert-butylbenzoate
OPENEYE Name: 4-bromo-2-tert-butyl-benzoate
IUPAC Name: 4-bromo-2-tert-butylbenzoate
SYSTEMATIC NAME: 4-bromanyl-2-tert-butyl-benzoate
MOLECULAR FORMULA: C11H12BrO2-
MOLECULAR WEIGHT: 256.11578
SMILES: CC(C)(C)C1=C(C=CC(=C1)Br)C(=O)[O-]
Structure:
CAS RN: 191871-91-7
CAS Name: N-[4-(aminomethyl)phenyl]-N-methylcarbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[4-(aminomethyl)phenyl]-N-methyl-carbamate
IUPAC Name: tert-butyl N-[4-(aminomethyl)phenyl]-N-methylcarbamate
SYSTEMATIC NAME: tert-butyl N-[4-(aminomethyl)phenyl]-N-methyl-carbamate
MOLECULAR FORMULA: C13H20N2O2
MOLECULAR WEIGHT: 236.3101
SMILES: CC(C)(C)OC(=O)N(C)C1=CC=C(C=C1)CN
Structure:
CAS RN: 749875-16-9
CAS Name: 5-bromo-2-(trifluoromethyl)-4-pyridinecarboxylic acid
OPENEYE Name: 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylic acid
IUPAC Name: 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylic acid
SYSTEMATIC NAME: 5-bromanyl-2-(trifluoromethyl)pyridine-4-carboxylic acid
MOLECULAR FORMULA: C7H3BrF3NO2
MOLECULAR WEIGHT: 270.00343
SMILES: C1=C(C(=CN=C1C(F)(F)F)Br)C(=O)O
Structure:
CAS RN: 913472-55-6
CAS Name: 3,4,5-trifluorobenzenesulfonamide
OPENEYE Name: 3,4,5-trifluorobenzenesulfonamide
IUPAC Name: 3,4,5-trifluorobenzenesulfonamide
SYSTEMATIC NAME: 3,4,5-tris(fluoranyl)benzenesulfonamide
MOLECULAR FORMULA: C6H4F3NO2S
MOLECULAR WEIGHT: 211.16167
SMILES: C1=C(C=C(C(=C1F)F)F)S(=O)(=O)N
Structure:
CAS RN: 883531-98-4
CAS Name: 4-methoxy-5,6,7,8-tetrahydronaphthalene-1-carboxaldehyde
OPENEYE Name: 8-methoxytetralin-5-carbaldehyde
IUPAC Name: 4-methoxy-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
SYSTEMATIC NAME: 4-methoxy-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: COC1=C2CCCCC2=C(C=C1)C=O
Structure:
CAS RN: 885272-89-9
CAS Name: [2-(4-fluorophenyl)-4-oxazolyl]methanamine
OPENEYE Name: [2-(4-fluorophenyl)oxazol-4-yl]methanamine
IUPAC Name: [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methanamine
SYSTEMATIC NAME: [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methanamine
MOLECULAR FORMULA: C10H9FN2O
MOLECULAR WEIGHT: 192.189663
SMILES: C1=CC(=CC=C1C2=NC(=CO2)CN)F
Structure:
CAS RN: 595610-50-7
CAS Name: 3-(3-chlorophenyl)-1H-pyrazole-5-carboxylate
OPENEYE Name: 3-(3-chlorophenyl)-1H-pyrazole-5-carboxylate
IUPAC Name: 3-(3-chlorophenyl)-1H-pyrazole-5-carboxylate
SYSTEMATIC NAME: 3-(3-chlorophenyl)-1H-pyrazole-5-carboxylate
MOLECULAR FORMULA: C10H6ClN2O2-
MOLECULAR WEIGHT: 221.61984
SMILES: C1=CC(=CC(=C1)Cl)C2=NNC(=C2)C(=O)[O-]
Structure:
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