(5-bromo-2-fluorophenyl)(phenyl)methanol

• ChemBase ID: 279108
• Molecular Formular: C13H10BrFO
• Molecular Mass: 281.1203032
• Monoisotopic Mass: 279.98990516
• SMILES: c1(C(c2ccccc2)O)c(ccc(c1)Br)F
• Canonical SMILES: Brc1ccc(c(c1)C(c1ccccc1)O)F
• InChI: InChI=1S/C13H10BrFO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,13,16H
• InChIKey: IHUOBAUBJGOIHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromo-2-fluorophenyl)(phenyl)methanol
• IUPAC Traditional name: (5-bromo-2-fluorophenyl)(phenyl)methanol
• Synonyms: (5-bromo-2-fluorophenyl)(phenyl)methanol

Database IDs

• MDL Number: MFCD12786910
• PubChem SID: 164335018
• PubChem CID: 54595143

CALCULATED PROPERTIES

• Acid pKa: 13.331959
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9015908
• LogD (pH = 7.4): 3.9015903
• Log P: 3.9015908
• Molar Refractivity: 64.9959 cm^3
• Polarizability: 24.820797 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%