5-(4-chloro-2-fluorophenyl)furan-2-carbaldehyde

• ChemBase ID: 311988
• Molecular Formular: C11H6ClFO2
• Molecular Mass: 224.6155432
• Monoisotopic Mass: 224.00403533
• SMILES: c1(c2c(cc(cc2)Cl)F)oc(cc1)C=O
• Canonical SMILES: O=Cc1ccc(o1)c1ccc(cc1F)Cl
• InChI: InChI=1S/C11H6ClFO2/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-6H
• InChIKey: NPEKTQYNJCJCQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-chloro-2-fluorophenyl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(4-chloro-2-fluorophenyl)furan-2-carbaldehyde
• Synonyms: 5-(4-chloro-2-fluorophenyl)-2-furaldehyde

Database IDs

• CAS Number: 591224-05-4
• MDL Number: MFCD03722926

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.059968
• LogD (pH = 7.4): 3.059968
• Log P: 3.059968
• Molar Refractivity: 55.0678 cm^3
• Polarizability: 21.609104 Å^3
• Polar Surface Area: 30.21 Å^2