(5-bromofuran-2-yl)methanol

• ChemBase ID: 256843
• Molecular Formular: C5H5BrO2
• Molecular Mass: 176.996
• Monoisotopic Mass: 175.9472914
• SMILES: c1(oc(cc1)CO)Br
• Canonical SMILES: OCc1ccc(o1)Br
• InChI: InChI=1S/C5H5BrO2/c6-5-2-1-4(3-7)8-5/h1-2,7H,3H2
• InChIKey: CFLMVPYEVZXIED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromofuran-2-yl)methanol
• IUPAC Traditional name: (5-bromofuran-2-yl)methanol
• Synonyms: (5-bromo-2-furyl)methanol; (5-Bromofuran-2-yl)methanol

Database IDs

• CAS Number: 27230-58-6
• MDL Number: MFCD06202733
• PubChem SID: 164312753
• PubChem CID: 14595701

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.73525083
• LogD (pH = 7.4): 0.7352506
• Log P: 0.73525083
• Molar Refractivity: 32.6696 cm^3
• Polarizability: 12.776276 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 13.678365

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.143

Product Information

• Purity: 95%; 95+%