CAS RN: 1942-31-0
CAS Name: 1-[4-(2-phenylethynyl)phenyl]ethanone
OPENEYE Name: 1-[4-(2-phenylethynyl)phenyl]ethanone
IUPAC Name: 1-[4-(2-phenylethynyl)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-(2-phenylethynyl)phenyl]ethanone
MOLECULAR FORMULA: C16H12O
MOLECULAR WEIGHT: 220.26588
SMILES: CC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2
Structure:
CAS RN: 175968-39-5
CAS Name: 2,3-difluoro-4-hydroxybenzoic acid
OPENEYE Name: 2,3-difluoro-4-hydroxy-benzoic acid
IUPAC Name: 2,3-difluoro-4-hydroxybenzoic acid
SYSTEMATIC NAME: 2,3-bis(fluoranyl)-4-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H4F2O3
MOLECULAR WEIGHT: 174.101666
SMILES: C1=CC(=C(C(=C1C(=O)O)F)F)O
Structure:
CAS RN: 36476-86-5
CAS Name: 1-(diphenylmethyl)-3-azetidinecarbonitrile
OPENEYE Name: 1-benzhydrylazetidine-3-carbonitrile
IUPAC Name: 1-benzhydrylazetidine-3-carbonitrile
SYSTEMATIC NAME: 1-(diphenylmethyl)azetidine-3-carbonitrile
MOLECULAR FORMULA: C17H16N2
MOLECULAR WEIGHT: 248.32234
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C#N
Structure:
CAS RN: 656-64-4
CAS Name: 3-bromo-4-fluoroaniline
OPENEYE Name: 3-bromo-4-fluoro-aniline
IUPAC Name: 3-bromo-4-fluoroaniline
SYSTEMATIC NAME: 3-bromanyl-4-fluoranyl-aniline
MOLECULAR FORMULA: C6H5BrFN
MOLECULAR WEIGHT: 190.013003
SMILES: C1=CC(=C(C=C1N)Br)F
Structure:
CAS RN: 2040-89-3
CAS Name: 2-bromo-6-fluorophenol
OPENEYE Name: 2-bromo-6-fluoro-phenol
IUPAC Name: 2-bromo-6-fluorophenol
SYSTEMATIC NAME: 2-bromanyl-6-fluoranyl-phenol
MOLECULAR FORMULA: C6H4BrFO
MOLECULAR WEIGHT: 190.997763
SMILES: C1=CC(=C(C(=C1)Br)O)F
Structure:
CAS RN: 83594-83-6
CAS Name: 1,3-difluoro-5-isocyanatobenzene
OPENEYE Name: 1,3-difluoro-5-isocyanato-benzene
IUPAC Name: 1,3-difluoro-5-isocyanatobenzene
SYSTEMATIC NAME: 1,3-bis(fluoranyl)-5-isocyanato-benzene
MOLECULAR FORMULA: C7H3F2NO
MOLECULAR WEIGHT: 155.101626
SMILES: C1=C(C=C(C=C1F)F)N=C=O
Structure:
CAS RN: 497959-32-7
CAS Name: 5-bromo-2-hydroxy-3-(trifluoromethoxy)benzaldehyde
OPENEYE Name: 5-bromo-2-hydroxy-3-(trifluoromethoxy)benzaldehyde
IUPAC Name: 5-bromo-2-hydroxy-3-(trifluoromethoxy)benzaldehyde
SYSTEMATIC NAME: 5-bromanyl-2-oxidanyl-3-(trifluoromethyloxy)benzaldehyde
MOLECULAR FORMULA: C8H4BrF3O3
MOLECULAR WEIGHT: 285.01477
SMILES: C1=C(C=C(C(=C1OC(F)(F)F)O)C=O)Br
Structure:
CAS RN: 175203-78-8
CAS Name: 5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride
OPENEYE Name: 5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride
IUPAC Name: 5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride
SYSTEMATIC NAME: 5-chloranyl-2,1,3-benzoxadiazole-4-sulfonyl chloride
MOLECULAR FORMULA: C6H2Cl2N2O3S
MOLECULAR WEIGHT: 253.06268
SMILES: C1=CC2=NON=C2C(=C1Cl)S(=O)(=O)Cl
Structure:
CAS RN: 336628-67-2
CAS Name: 2-hydroxy-3-(trifluoromethyl)benzaldehyde
OPENEYE Name: 2-hydroxy-3-(trifluoromethyl)benzaldehyde
IUPAC Name: 2-hydroxy-3-(trifluoromethyl)benzaldehyde
SYSTEMATIC NAME: 2-oxidanyl-3-(trifluoromethyl)benzaldehyde
MOLECULAR FORMULA: C8H5F3O2
MOLECULAR WEIGHT: 190.11931
SMILES: C1=CC(=C(C(=C1)C(F)(F)F)O)C=O
Structure:
CAS RN: 146539-83-5
CAS Name: 2-methoxy-5-(trifluoromethyl)benzaldehyde
OPENEYE Name: 2-methoxy-5-(trifluoromethyl)benzaldehyde
IUPAC Name: 2-methoxy-5-(trifluoromethyl)benzaldehyde
SYSTEMATIC NAME: 2-methoxy-5-(trifluoromethyl)benzaldehyde
MOLECULAR FORMULA: C9H7F3O2
MOLECULAR WEIGHT: 204.14589
SMILES: COC1=C(C=C(C=C1)C(F)(F)F)C=O
Structure:
CAS RN: 348-28-7
CAS Name: 4-fluoro-2-hydroxybenzaldehyde
OPENEYE Name: 4-fluoro-2-hydroxy-benzaldehyde
IUPAC Name: 4-fluoro-2-hydroxybenzaldehyde
SYSTEMATIC NAME: 4-fluoranyl-2-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C7H5FO2
MOLECULAR WEIGHT: 140.111803
SMILES: C1=CC(=C(C=C1F)O)C=O
Structure:
CAS RN: 202925-08-4
CAS Name: 1-chloro-3-fluoro-5-methoxybenzene
OPENEYE Name: 1-chloro-3-fluoro-5-methoxy-benzene
IUPAC Name: 1-chloro-3-fluoro-5-methoxybenzene
SYSTEMATIC NAME: 1-chloranyl-3-fluoranyl-5-methoxy-benzene
MOLECULAR FORMULA: C7H6ClFO
MOLECULAR WEIGHT: 160.573343
SMILES: COC1=CC(=CC(=C1)Cl)F
Structure:
CAS RN: 3907-15-1
CAS Name: 3-fluoro-4-methoxybenzoyl chloride
OPENEYE Name: 3-fluoro-4-methoxy-benzoyl chloride
IUPAC Name: 3-fluoro-4-methoxybenzoyl chloride
SYSTEMATIC NAME: 3-fluoranyl-4-methoxy-benzoyl chloride
MOLECULAR FORMULA: C8H6ClFO2
MOLECULAR WEIGHT: 188.583443
SMILES: COC1=C(C=C(C=C1)C(=O)Cl)F
Structure:
CAS RN: 459424-72-7
CAS Name: 1,2,3-trifluoro-4-iodobenzene
OPENEYE Name: 1,2,3-trifluoro-4-iodo-benzene
IUPAC Name: 1,2,3-trifluoro-4-iodobenzene
SYSTEMATIC NAME: 1,2,3-tris(fluoranyl)-4-iodanyl-benzene
MOLECULAR FORMULA: C6H2F3I
MOLECULAR WEIGHT: 257.97976
SMILES: C1=CC(=C(C(=C1F)F)F)I
Structure:
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