1-(2-bromophenyl)-2-(2-fluorophenyl)ethan-1-one

• ChemBase ID: 276800
• Molecular Formular: C14H10BrFO
• Molecular Mass: 293.1310032
• Monoisotopic Mass: 291.98990516
• SMILES: C(=O)(c1c(Br)cccc1)Cc1c(F)cccc1
• Canonical SMILES: Fc1ccccc1CC(=O)c1ccccc1Br
• InChI: InChI=1S/C14H10BrFO/c15-12-7-3-2-6-11(12)14(17)9-10-5-1-4-8-13(10)16/h1-8H,9H2
• InChIKey: IFVYEDYXCCDOSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromophenyl)-2-(2-fluorophenyl)ethan-1-one
• IUPAC Traditional name: 1-(2-bromophenyl)-2-(2-fluorophenyl)ethanone
• Synonyms: 1-(2-bromophenyl)-2-(2-fluorophenyl)ethan-1-one

Database IDs

• MDL Number: MFCD02260756
• PubChem SID: 164332710
• PubChem CID: 24723940

CALCULATED PROPERTIES

• Acid pKa: 11.624717
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2766876
• LogD (pH = 7.4): 4.276662
• Log P: 4.2766876
• Molar Refractivity: 69.0219 cm^3
• Polarizability: 26.09781 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.171

Product Information

• Purity: 95%