5-(2-chlorophenyl)furan-2-carbonyl chloride

• ChemBase ID: 120427
• Molecular Formular: C11H6Cl2O2
• Molecular Mass: 241.07014
• Monoisotopic Mass: 239.97448479
• SMILES: c1(oc(C(=O)Cl)cc1)c1c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1c1ccc(o1)C(=O)Cl
• InChI: InChI=1S/C11H6Cl2O2/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H
• InChIKey: YPZJTGPIDJPIQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-chlorophenyl)furan-2-carbonyl chloride
• IUPAC Traditional name: 5-(2-chlorophenyl)furan-2-carbonyl chloride
• Synonyms: 5-(2-chlorophenyl)furan-2-carbonyl chloride

Database IDs

• PubChem SID: 162214780
• PubChem CID: 2771884

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3956761
• LogD (pH = 7.4): 3.3956761
• Log P: 3.3956761
• Molar Refractivity: 59.3821 cm^3
• Polarizability: 23.795067 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true