3-(2-bromoethyl)furan

• ChemBase ID: 277866
• Molecular Formular: C6H7BrO
• Molecular Mass: 175.02318
• Monoisotopic Mass: 173.96802684
• SMILES: c1(cocc1)CCBr
• Canonical SMILES: BrCCc1cocc1
• InChI: InChI=1S/C6H7BrO/c7-3-1-6-2-4-8-5-6/h2,4-5H,1,3H2
• InChIKey: ORNSEMITWVIZSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD15144181
• PubChem SID: 164333776
• PubChem CID: 642101

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1748898
• LogD (pH = 7.4): 2.1748898
• Log P: 2.1748898
• Molar Refractivity: 36.1768 cm^3
• Polarizability: 13.614861 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.199

Product Information

• Purity: 95%