4-bromo-3-fluoro-2-methylphenol

• ChemBase ID: 310094
• Molecular Formular: C7H6BrFO
• Molecular Mass: 205.0243432
• Monoisotopic Mass: 203.95860503
• SMILES: c1(c(c(ccc1O)Br)F)C
• Canonical SMILES: Oc1ccc(c(c1C)F)Br
• InChI: InChI=1S/C7H6BrFO/c1-4-6(10)3-2-5(8)7(4)9/h2-3,10H,1H3
• InChIKey: BOINEAWTTLAFEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-3-fluoro-2-methylphenol
• IUPAC Traditional name: 4-bromo-3-fluoro-2-methylphenol
• Synonyms: 4-bromo-3-fluoro-2-methylphenol

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0942152
• LogD (pH = 7.4): 3.0682535
• Log P: 3.0945563
• Molar Refractivity: 40.9193 cm^3
• Polarizability: 15.387234 Å^3
• Polar Surface Area: 20.23 Å^2