(4-bromofuran-2-yl)methanol

• ChemBase ID: 292730
• Molecular Formular: C5H5BrO2
• Molecular Mass: 176.996
• Monoisotopic Mass: 175.9472914
• SMILES: OCc1cc(Br)co1
• Canonical SMILES: OCc1cc(co1)Br
• InChI: InChI=1S/C5H5BrO2/c6-4-1-5(2-7)8-3-4/h1,3,7H,2H2
• InChIKey: QZGKNGISHZQLNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromofuran-2-yl)methanol
• IUPAC Traditional name: (4-bromofuran-2-yl)methanol
• Synonyms: (4-Bromofuran-2-yl)methanol

Database IDs

• CAS Number: 59413-71-7
• PubChem SID: 180678261
• PubChem CID: 12289784

CALCULATED PROPERTIES

• Acid pKa: 13.644307
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0348953
• LogD (pH = 7.4): 1.0348951
• Log P: 1.0348953
• Molar Refractivity: 32.8876 cm^3
• Polarizability: 12.718813 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%