(4-bromophenyl)(4-fluoro-3-methylphenyl)methanone

• ChemBase ID: 94831
• Molecular Formular: C14H10BrFO
• Molecular Mass: 293.1310032
• Monoisotopic Mass: 291.98990516
• SMILES: O=C(c1ccc(cc1)Br)c1ccc(c(c1)C)F
• Canonical SMILES: Brc1ccc(cc1)C(=O)c1ccc(c(c1)C)F
• InChI: InChI=1S/C14H10BrFO/c1-9-8-11(4-7-13(9)16)14(17)10-2-5-12(15)6-3-10/h2-8H,1H3
• InChIKey: HKVAPOPRAJIWKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromophenyl)(4-fluoro-3-methylphenyl)methanone
• IUPAC Traditional name: (4-bromophenyl)(4-fluoro-3-methylphenyl)methanone
• Synonyms: 4-Bromo-4'-fluoro-3'-methylbenzophenone 97%

Database IDs

• MDL Number: MFCD06201455
• PubChem SID: 162081485
• PubChem CID: 2756990

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.857475
• LogD (pH = 7.4): 4.857475
• Log P: 4.857475
• Molar Refractivity: 69.5139 cm^3
• Polarizability: 26.17541 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant