5-chloro-2,4-difluorobenzaldehyde

• ChemBase ID: 286813
• Molecular Formular: C7H3ClF2O
• Molecular Mass: 176.5479264
• Monoisotopic Mass: 175.98404884
• SMILES: O=Cc1cc(Cl)c(F)cc1F
• Canonical SMILES: O=Cc1cc(Cl)c(cc1F)F
• InChI: InChI=1S/C7H3ClF2O/c8-5-1-4(3-11)6(9)2-7(5)10/h1-3H
• InChIKey: JQYSGEFOABIZKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 695187-29-2
• PubChem SID: 180672344
• PubChem CID: 34174561

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: 13.7218485 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%