(5-bromo-2-fluorophenyl)methanol

• ChemBase ID: 99602
• Molecular Formular: C7H6BrFO
• Molecular Mass: 205.0243432
• Monoisotopic Mass: 203.95860503
• SMILES: OCc1c(ccc(c1)Br)F
• Canonical SMILES: OCc1cc(Br)ccc1F
• InChI: InChI=1S/C7H6BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
• InChIKey: UOSBHJFKMGLWGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromo-2-fluorophenyl)methanol
• IUPAC Traditional name: (5-bromo-2-fluorophenyl)methanol
• Synonyms: (5-Bromo-2-fluorophenyl)methanol; 5-Bromo-2-fluorobenzyl alcohol; (5-bromo-2-fluorophenyl)methanol

Database IDs

• CAS Number: 99725-13-0
• MDL Number: MFCD00143425
• PubChem SID: 162085865
• PubChem CID: 2773352

CALCULATED PROPERTIES

• Acid pKa: 14.448242
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1173506
• LogD (pH = 7.4): 2.1173506
• Log P: 2.1173506
• Molar Refractivity: 40.7131 cm^3
• Polarizability: 15.452983 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82-87°C/0.4mm
• Hydrophobicity(logP): 2.11

Safety Information

• Storage Warning: Irritant/Light Sensitive

Product Information

• Purity: 95%