2-bromo-6-chlorophenol

• ChemBase ID: 289673
• Molecular Formular: C6H4BrClO
• Molecular Mass: 207.45236
• Monoisotopic Mass: 205.91340443
• SMILES: Oc1c(Br)cccc1Cl
• Canonical SMILES: Oc1c(Cl)cccc1Br
• InChI: InChI=1S/C6H4BrClO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
• InChIKey: LUECOFFMVWPWDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-chlorophenol
• IUPAC Traditional name: 2-bromo-6-chlorophenol
• Synonyms: 2-Bromo-6-chlorophenol

Database IDs

• CAS Number: 2040-88-2
• MDL Number: MFCD09907875
• PubChem SID: 180675204
• PubChem CID: 16268

CALCULATED PROPERTIES

• Acid pKa: 6.627159
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.011478
• LogD (pH = 7.4): 2.2216651
• Log P: 3.0424778
• Molar Refractivity: 40.4665 cm^3
• Polarizability: 15.793676 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%