3-(bromomethyl)furan

• ChemBase ID: 288389
• Molecular Formular: C5H5BrO
• Molecular Mass: 160.9966
• Monoisotopic Mass: 159.95237678
• SMILES: BrCc1cocc1
• Canonical SMILES: BrCc1cocc1
• InChI: InChI=1S/C5H5BrO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
• InChIKey: HOEQXFUBJFGJKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(bromomethyl)furan
• IUPAC Traditional name: 3-(bromomethyl)furan
• Synonyms: 3-(Bromomethyl)furan

Database IDs

• CAS Number: 63184-61-2
• PubChem SID: 180673920
• PubChem CID: 11094934

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8862287
• LogD (pH = 7.4): 1.8862287
• Log P: 1.8862287
• Molar Refractivity: 31.4218 cm^3
• Polarizability: 11.894981 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%