(4-chlorophenyl)(4-fluorophenyl)methanone

• ChemBase ID: 286620
• Molecular Formular: C13H8ClFO
• Molecular Mass: 234.6534232
• Monoisotopic Mass: 234.02477078
• SMILES: C(=O)(c1ccc(cc1)F)c1ccc(cc1)Cl
• Canonical SMILES: Fc1ccc(cc1)C(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C13H8ClFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
• InChIKey: YGROSAOZMCLHSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07787488
• PubChem SID: 180672151
• PubChem CID: 13813634

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1793456
• LogD (pH = 7.4): 4.1793456
• Log P: 4.1793456
• Molar Refractivity: 61.6547 cm^3
• Polarizability: 23.505573 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115 - 117°C
• Hydrophobicity(logP): 4.138

Product Information

• Purity: 95%