(3-chlorophenyl)(4-chlorophenyl)methanone

• ChemBase ID: 306490
• Molecular Formular: C13H8Cl2O
• Molecular Mass: 251.10802
• Monoisotopic Mass: 249.99522024
• SMILES: C(=O)(c1cc(Cl)ccc1)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)C(=O)c1cccc(c1)Cl
• InChI: InChI=1S/C13H8Cl2O/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8H
• InChIKey: XFTXWDDQIXYAGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chlorophenyl)(4-chlorophenyl)methanone
• IUPAC Traditional name: (3-chlorophenyl)(4-chlorophenyl)methanone
• Synonyms: (3-chlorophenyl)(4-chlorophenyl)methanone

Database IDs

• CAS Number: 7498-66-0
• MDL Number: MFCD09055159

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: 25.708305 Å^3
• Polar Surface Area: 17.07 Å^2