2-(4-bromophenyl)-5-(chloromethyl)furan

• ChemBase ID: 232179
• Molecular Formular: C11H8BrClO
• Molecular Mass: 271.53762
• Monoisotopic Mass: 269.94470456
• SMILES: c1(oc(cc1)CCl)c1ccc(cc1)Br
• Canonical SMILES: ClCc1ccc(o1)c1ccc(cc1)Br
• InChI: InChI=1S/C11H8BrClO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H,7H2
• InChIKey: DWWXFNRXTRHCGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)-5-(chloromethyl)furan
• IUPAC Traditional name: 2-(4-bromophenyl)-5-(chloromethyl)furan
• Synonyms: 2-(4-Bromo-phenyl)-5-chloromethyl-furan

Database IDs

• MDL Number: MFCD04621507
• PubChem SID: 164288089
• PubChem CID: 2393562

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9567137
• LogD (pH = 7.4): 3.9567137
• Log P: 3.9567137
• Molar Refractivity: 60.9523 cm^3
• Polarizability: 24.535503 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.841

Product Information

• Purity: 95%