(3,5-dichlorophenyl)(phenyl)methanone

• ChemBase ID: 107631
• Molecular Formular: C13H8Cl2O
• Molecular Mass: 251.10802
• Monoisotopic Mass: 249.99522024
• SMILES: Clc1cc(cc(Cl)c1)C(=O)c1ccccc1
• Canonical SMILES: Clc1cc(Cl)cc(c1)C(=O)c1ccccc1
• InChI: InChI=1S/C13H8Cl2O/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h1-8H
• InChIKey: GTOIVYIQAXETHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,5-dichlorophenyl)(phenyl)methanone
• IUPAC Traditional name: (3,5-dichlorophenyl)(phenyl)methanone
• Synonyms: 3,5-DICHLOROBENZOPHENONE

Database IDs

• PubChem SID: 162106072
• PubChem CID: 19756095

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: 25.71176 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204412

MP Biomedicals Rare Chemical collection