(2,6-dichlorophenyl)(phenyl)methanone

• ChemBase ID: 237648
• Molecular Formular: C13H8Cl2O
• Molecular Mass: 251.10802
• Monoisotopic Mass: 249.99522024
• SMILES: c1(C(=O)c2ccccc2)c(Cl)cccc1Cl
• Canonical SMILES: Clc1cccc(c1C(=O)c1ccccc1)Cl
• InChI: InChI=1S/C13H8Cl2O/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-8H
• InChIKey: CVXUBCVZKVCBCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dichlorophenyl)(phenyl)methanone
• IUPAC Traditional name: (2,6-dichlorophenyl)(phenyl)methanone
• Synonyms: (2,6-dichlorophenyl)(phenyl)methanone

Database IDs

• MDL Number: MFCD00156821
• PubChem SID: 164293558
• PubChem CID: 3356616

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: 25.740023 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82 - 84°C
• Hydrophobicity(logP): 4.188

Product Information

• Purity: 95%