(2,4-dichlorophenyl)(phenyl)methanone

• ChemBase ID: 287482
• Molecular Formular: C13H8Cl2O
• Molecular Mass: 251.10802
• Monoisotopic Mass: 249.99522024
• SMILES: Clc1cc(Cl)c(cc1)C(=O)c1ccccc1
• Canonical SMILES: Clc1ccc(c(c1)Cl)C(=O)c1ccccc1
• InChI: InChI=1S/C13H8Cl2O/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8H
• InChIKey: VLTYTTRXESKBKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dichlorophenyl)(phenyl)methanone
• IUPAC Traditional name: (2,4-dichlorophenyl)(phenyl)methanone
• Synonyms: (2,4-Dichlorophenyl)(phenyl)methanone

Database IDs

• CAS Number: 19811-05-3
• MDL Number: MFCD00018374
• PubChem SID: 180673013
• PubChem CID: 72867

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: 25.728493 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%