3-(3-chlorophenyl)aniline

• ChemBase ID: 306860
• Molecular Formular: C12H10ClN
• Molecular Mass: 203.6675
• Monoisotopic Mass: 203.05017701
• SMILES: c1(c2cc(Cl)ccc2)cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)c1cccc(c1)Cl
• InChI: InChI=1S/C12H10ClN/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,14H2
• InChIKey: GXRVJJBIJVHXOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-chlorophenyl)aniline
• IUPAC Traditional name: 3-(3-chlorophenyl)aniline
• Synonyms: (3'-chlorobiphenyl-3-yl)amine

Database IDs

• CAS Number: 56763-55-4
• MDL Number: MFCD03424675

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3821971
• LogD (pH = 7.4): 3.3954186
• Log P: 3.3955898
• Molar Refractivity: 60.6994 cm^3
• Polarizability: 24.333107 Å^3
• Polar Surface Area: 26.02 Å^2