2-phenylbenzoyl chloride

• ChemBase ID: 180548
• Molecular Formular: C13H9ClO
• Molecular Mass: 216.66296
• Monoisotopic Mass: 216.03419259
• SMILES: C(=O)(c1c(cccc1)c1ccccc1)Cl
• Canonical SMILES: ClC(=O)c1ccccc1c1ccccc1
• InChI: InChI=1S/C13H9ClO/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
• InChIKey: MPJOJCZVGBOVOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylbenzoyl chloride
• IUPAC Traditional name: 2-phenylbenzoyl chloride
• Synonyms: Biphenyl-2-carbonyl chloride

Database IDs

• CAS Number: 14002-52-9
• PubChem SID: 164236458
• PubChem CID: 12563768

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8113837
• LogD (pH = 7.4): 3.8113837
• Log P: 3.8113837
• Molar Refractivity: 62.3089 cm^3
• Polarizability: 25.051224 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true