5-bromo-3-chloro-2-fluorophenol

• ChemBase ID: 290209
• Molecular Formular: C6H3BrClFO
• Molecular Mass: 225.4428232
• Monoisotopic Mass: 223.90398262
• SMILES: Oc1cc(Br)cc(Cl)c1F
• Canonical SMILES: Brc1cc(O)c(c(c1)Cl)F
• InChI: InChI=1S/C6H3BrClFO/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
• InChIKey: GXMIWRKHBJSAJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-chloro-2-fluorophenol
• IUPAC Traditional name: 5-bromo-3-chloro-2-fluorophenol
• Synonyms: 5-Bromo-3-chloro-2-fluorophenol

Database IDs

• CAS Number: 1305322-97-7
• MDL Number: MFCD18914516
• PubChem SID: 180675740
• PubChem CID: 54759056

CALCULATED PROPERTIES

• Acid pKa: 7.1560354
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1757755
• LogD (pH = 7.4): 2.7515545
• Log P: 3.1851797
• Molar Refractivity: 40.6829 cm^3
• Polarizability: 15.70062 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%