(3-bromophenyl)(3-fluorophenyl)methanol

• ChemBase ID: 237520
• Molecular Formular: C13H10BrFO
• Molecular Mass: 281.1203032
• Monoisotopic Mass: 279.98990516
• SMILES: c1(C(c2cc(Br)ccc2)O)cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)C(c1cccc(c1)Br)O
• InChI: InChI=1S/C13H10BrFO/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8,13,16H
• InChIKey: RWKNMZLQGZSYLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12153611
• PubChem SID: 164293430
• PubChem CID: 60798418

CALCULATED PROPERTIES

• Acid pKa: 13.5644
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9015908
• LogD (pH = 7.4): 3.9015906
• Log P: 3.9015908
• Molar Refractivity: 64.9959 cm^3
• Polarizability: 24.821003 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.458

Product Information

• Purity: 95%