2-chloro-3,4-difluorobenzaldehyde

• ChemBase ID: 291751
• Molecular Formular: C7H3ClF2O
• Molecular Mass: 176.5479264
• Monoisotopic Mass: 175.98404884
• SMILES: O=Cc1ccc(F)c(F)c1Cl
• Canonical SMILES: O=Cc1ccc(c(c1Cl)F)F
• InChI: InChI=1S/C7H3ClF2O/c8-6-4(3-11)1-2-5(9)7(6)10/h1-3H
• InChIKey: XGJVFMUFGOGDCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3,4-difluorobenzaldehyde
• IUPAC Traditional name: 2-chloro-3,4-difluorobenzaldehyde
• Synonyms: 2-Chloro-3,4-difluorobenzaldehyde

Database IDs

• CAS Number: 1261869-07-1
• MDL Number: MFCD18415551
• PubChem SID: 180677282
• PubChem CID: 66570505

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: 13.736032 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%