2-(3-bromopropyl)furan

• ChemBase ID: 310076
• Molecular Formular: C7H9BrO
• Molecular Mass: 189.04976
• Monoisotopic Mass: 187.98367691
• SMILES: c1(occc1)CCCBr
• Canonical SMILES: BrCCCc1ccco1
• InChI: InChI=1S/C7H9BrO/c8-5-1-3-7-4-2-6-9-7/h2,4,6H,1,3,5H2
• InChIKey: IIGJOLNIKPMEEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-bromopropyl)furan
• IUPAC Traditional name: 2-(3-bromopropyl)furan
• Synonyms: 2-(3-bromopropyl)furan

Database IDs

• MDL Number: MFCD11613484

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3835523
• LogD (pH = 7.4): 2.3835523
• Log P: 2.3835523
• Molar Refractivity: 40.8093 cm^3
• Polarizability: 15.414102 Å^3
• Polar Surface Area: 13.14 Å^2