2,6-difluoro-4-methylbenzaldehyde

• ChemBase ID: 292272
• Molecular Formular: C8H6F2O
• Molecular Mass: 156.1294464
• Monoisotopic Mass: 156.03867125
• SMILES: Cc1cc(F)c(C=O)c(F)c1
• Canonical SMILES: O=Cc1c(F)cc(cc1F)C
• InChI: InChI=1S/C8H6F2O/c1-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3
• InChIKey: BQVVPJZIUSQOAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-4-methylbenzaldehyde
• IUPAC Traditional name: 2,6-difluoro-4-methylbenzaldehyde
• Synonyms: 2,6-Difluoro-4-methylbenzaldehyde

Database IDs

• CAS Number: 1201597-22-9
• PubChem SID: 180677803
• PubChem CID: 21063800

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4845734
• LogD (pH = 7.4): 2.4845734
• Log P: 2.4845734
• Molar Refractivity: 38.116 cm^3
• Polarizability: 13.444902 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%