(3-bromophenyl)(3-fluorophenyl)methanone

• ChemBase ID: 237671
• Molecular Formular: C13H8BrFO
• Molecular Mass: 279.1044232
• Monoisotopic Mass: 277.9742551
• SMILES: C(=O)(c1cc(F)ccc1)c1cc(Br)ccc1
• Canonical SMILES: Fc1cccc(c1)C(=O)c1cccc(c1)Br
• InChI: InChI=1S/C13H8BrFO/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H
• InChIKey: KGAQUGKHKYDPDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromophenyl)(3-fluorophenyl)methanone
• IUPAC Traditional name: (3-bromophenyl)(3-fluorophenyl)methanone
• Synonyms: (3-bromophenyl)(3-fluorophenyl)methanone

Database IDs

• MDL Number: MFCD09801599
• PubChem SID: 164293581
• PubChem CID: 19780750

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: 24.42658 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 67°C
• Hydrophobicity(logP): 4.288

Product Information

• Purity: 95%