(2,6-dibromophenyl)methanol

• ChemBase ID: 292928
• Molecular Formular: C7H6Br2O
• Molecular Mass: 265.92994
• Monoisotopic Mass: 263.87853881
• SMILES: OCc1c(Br)cccc1Br
• Canonical SMILES: OCc1c(Br)cccc1Br
• InChI: InChI=1S/C7H6Br2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
• InChIKey: MUMDGZCWRBIKDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dibromophenyl)methanol
• IUPAC Traditional name: (2,6-dibromophenyl)methanol
• Synonyms: (2,6-Dibromophenyl)methanol

Database IDs

• CAS Number: 1013031-65-6
• PubChem SID: 180678459
• PubChem CID: 53397357

CALCULATED PROPERTIES

• Acid pKa: 14.576058
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7434013
• LogD (pH = 7.4): 2.7434013
• Log P: 2.7434013
• Molar Refractivity: 48.1195 cm^3
• Polarizability: 18.682468 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%