6-chloro-2,3-difluorobenzaldehyde

• ChemBase ID: 810628
• Molecular Formular: C7H3ClF2O
• Molecular Mass: 176.5479264
• Monoisotopic Mass: 175.98404884
• SMILES: c1(c(c(ccc1Cl)F)F)C=O
• Canonical SMILES: O=Cc1c(Cl)ccc(c1F)F
• InChI: InChI=1S/C7H3ClF2O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H
• InChIKey: YVKZXQCYLHFHIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2,3-difluorobenzaldehyde
• IUPAC Traditional name: 6-chloro-2,3-difluorobenzaldehyde
• Synonyms: 6-CHLORO-2,3-DIFLUOROBENZALDEHYDE

Database IDs

• CAS Number: 797791-33-4

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: 13.71116 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%