5-bromo-2,4-difluorophenol

• ChemBase ID: 291312
• Molecular Formular: C6H3BrF2O
• Molecular Mass: 208.9882264
• Monoisotopic Mass: 207.93353316
• SMILES: Oc1cc(Br)c(F)cc1F
• Canonical SMILES: Oc1cc(Br)c(cc1F)F
• InChI: InChI=1S/C6H3BrF2O/c7-3-1-6(10)5(9)2-4(3)8/h1-2,10H
• InChIKey: ZLUWZDGMZGVBGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2,4-difluorophenol
• IUPAC Traditional name: 5-bromo-2,4-difluorophenol
• Synonyms: 5-Bromo-2,4-difluorophenol

Database IDs

• CAS Number: 355423-48-2
• MDL Number: MFCD20231458
• PubChem SID: 180676843
• PubChem CID: 9834300

CALCULATED PROPERTIES

• Acid pKa: 7.5417514
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.719941
• LogD (pH = 7.4): 2.4903703
• Log P: 2.723837
• Molar Refractivity: 36.0945 cm^3
• Polarizability: 13.614123 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%