2-(4-chlorophenyl)aniline

• ChemBase ID: 813380
• Molecular Formular: C12H10ClN
• Molecular Mass: 203.6675
• Monoisotopic Mass: 203.05017701
• SMILES: Nc1ccccc1c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)c1ccccc1N
• InChI: InChI=1S/C12H10ClN/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,14H2
• InChIKey: JPBWZIPCMDZOPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)aniline
• IUPAC Traditional name: 2-(4-chlorophenyl)aniline
• Synonyms: 4'-CHLORO-BIPHENYL-2-YLAMINE

Database IDs

• CAS Number: 1204-44-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3880389
• LogD (pH = 7.4): 3.395494
• Log P: 3.3955898
• Molar Refractivity: 60.6994 cm^3
• Polarizability: 24.330673 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%