2,4-difluoro-3-methylbenzaldehyde

• ChemBase ID: 294141
• Molecular Formular: C8H6F2O
• Molecular Mass: 156.1294464
• Monoisotopic Mass: 156.03867125
• SMILES: O=Cc1ccc(F)c(C)c1F
• Canonical SMILES: O=Cc1ccc(c(c1F)C)F
• InChI: InChI=1S/C8H6F2O/c1-5-7(9)3-2-6(4-11)8(5)10/h2-4H,1H3
• InChIKey: MPOSIFXAXWZQED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-difluoro-3-methylbenzaldehyde
• IUPAC Traditional name: 2,4-difluoro-3-methylbenzaldehyde
• Synonyms: 2,4-Difluoro-3-methylbenzaldehyde

Database IDs

• CAS Number: 847502-88-9
• MDL Number: MFCD07777152
• PubChem SID: 180679672
• PubChem CID: 12137489

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: 13.445647 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%