(2,5-dibromophenyl)methanol

• ChemBase ID: 291831
• Molecular Formular: C7H6Br2O
• Molecular Mass: 265.92994
• Monoisotopic Mass: 263.87853881
• SMILES: OCc1c(Br)ccc(Br)c1
• Canonical SMILES: OCc1cc(Br)ccc1Br
• InChI: InChI=1S/C7H6Br2O/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
• InChIKey: QEKPWRNDDHNEJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,5-dibromophenyl)methanol
• IUPAC Traditional name: (2,5-dibromophenyl)methanol
• Synonyms: (2,5-Dibromophenyl)methanol

Database IDs

• CAS Number: 147034-01-3
• MDL Number: MFCD12031827
• PubChem SID: 180677362
• PubChem CID: 14948119

CALCULATED PROPERTIES

• Acid pKa: 14.706511
• 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: 18.68148 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%