(2-chlorophenyl)(3-chlorophenyl)methanone

• ChemBase ID: 306487
• Molecular Formular: C13H8Cl2O
• Molecular Mass: 251.10802
• Monoisotopic Mass: 249.99522024
• SMILES: C(=O)(c1c(Cl)cccc1)c1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)C(=O)c1ccccc1Cl
• InChI: InChI=1S/C13H8Cl2O/c14-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)15/h1-8H
• InChIKey: ZOEYPNHFGDABED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)(3-chlorophenyl)methanone
• IUPAC Traditional name: (2-chlorophenyl)(3-chlorophenyl)methanone
• Synonyms: (2-chlorophenyl)(3-chlorophenyl)methanone

Database IDs

• CAS Number: 77008-58-3
• MDL Number: MFCD09055155

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6406884
• LogD (pH = 7.4): 4.6406884
• Log P: 4.6406884
• Molar Refractivity: 66.2431 cm^3
• Polarizability: 25.720654 Å^3
• Polar Surface Area: 17.07 Å^2