(4-bromophenyl)(4-fluorophenyl)methanone

• ChemBase ID: 94805
• Molecular Formular: C13H8BrFO
• Molecular Mass: 279.1044232
• Monoisotopic Mass: 277.9742551
• SMILES: O=C(c1ccc(cc1)F)c1ccc(cc1)Br
• Canonical SMILES: Fc1ccc(cc1)C(=O)c1ccc(cc1)Br
• InChI: InChI=1S/C13H8BrFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
• InChIKey: SSXSFTBOKUQUAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromophenyl)(4-fluorophenyl)methanone
• IUPAC Traditional name: (4-bromophenyl)(4-fluorophenyl)methanone
• Synonyms: 4-Bromo-4'-fluorobenzophenone 97%

Database IDs

• MDL Number: MFCD00672035
• PubChem SID: 162081459
• PubChem CID: 74951

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3440533
• LogD (pH = 7.4): 4.3440533
• Log P: 4.3440533
• Molar Refractivity: 64.4727 cm^3
• Polarizability: 24.425802 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant