3-(chloromethyl)furan

• ChemBase ID: 294396
• Molecular Formular: C5H5ClO
• Molecular Mass: 116.5456
• Monoisotopic Mass: 116.00289246
• SMILES: ClCc1cocc1
• Canonical SMILES: ClCc1cocc1
• InChI: InChI=1S/C5H5ClO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
• InChIKey: WECUIJXZKLGURU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(chloromethyl)furan
• IUPAC Traditional name: 3-(chloromethyl)furan
• Synonyms: 3-(Chloromethyl)furan

Database IDs

• CAS Number: 14497-29-1
• PubChem SID: 180679927
• PubChem CID: 11126228

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7007334
• LogD (pH = 7.4): 1.7007334
• Log P: 1.7007334
• Molar Refractivity: 28.4383 cm^3
• Polarizability: 10.891204 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%