(2-bromo-6-fluorophenyl)methanol

• ChemBase ID: 804739
• Molecular Formular: C7H6BrFO
• Molecular Mass: 205.0243432
• Monoisotopic Mass: 203.95860503
• SMILES: OCc1c(cccc1Br)F
• Canonical SMILES: OCc1c(F)cccc1Br
• InChI: InChI=1S/C7H6BrFO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
• InChIKey: HHGJENWYHVFPSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromo-6-fluorophenyl)methanol
• IUPAC Traditional name: (2-bromo-6-fluorophenyl)methanol
• Synonyms: 6-BROMO-2-FLUOROBENZYL ALCOHOL

Database IDs

• CAS Number: 261723-33-5

CALCULATED PROPERTIES

• Acid pKa: 14.316396
• 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: 15.454004 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%