2-chloro-4,5-difluorobenzaldehyde

• ChemBase ID: 286817
• Molecular Formular: C7H3ClF2O
• Molecular Mass: 176.5479264
• Monoisotopic Mass: 175.98404884
• SMILES: O=Cc1cc(F)c(F)cc1Cl
• Canonical SMILES: O=Cc1cc(F)c(cc1Cl)F
• InChI: InChI=1S/C7H3ClF2O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-3H
• InChIKey: GWUMAKZIHXGJKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,5-difluorobenzaldehyde
• IUPAC Traditional name: 2-chloro-4,5-difluorobenzaldehyde
• Synonyms: 2-Chloro-4,5-difluorobenzaldehyde

Database IDs

• CAS Number: 165047-23-4
• PubChem SID: 180672348
• PubChem CID: 15294715

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5751967
• LogD (pH = 7.4): 2.5751967
• Log P: 2.5751967
• Molar Refractivity: 37.8796 cm^3
• Polarizability: 13.710102 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%