(4-bromophenyl)(2-fluorophenyl)methanone

• ChemBase ID: 247700
• Molecular Formular: C13H8BrFO
• Molecular Mass: 279.1044232
• Monoisotopic Mass: 277.9742551
• SMILES: C(=O)(c1c(F)cccc1)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)C(=O)c1ccccc1F
• InChI: InChI=1S/C13H8BrFO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H
• InChIKey: BNJKHOYHQYYFGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromophenyl)(2-fluorophenyl)methanone
• IUPAC Traditional name: (4-bromophenyl)(2-fluorophenyl)methanone
• Synonyms: (4-bromophenyl)(2-fluorophenyl)methanone

Database IDs

• MDL Number: MFCD11210644
• PubChem SID: 164303610
• PubChem CID: 22446399

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: 24.427376 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35 - 37°C
• Hydrophobicity(logP): 3.838

Product Information

• Purity: 95%