2,4-dichloro-6-fluorobenzaldehyde

• ChemBase ID: 52992
• Molecular Formular: C7H3Cl2FO
• Molecular Mass: 193.0025232
• Monoisotopic Mass: 191.9544983
• SMILES: c1(cc(cc(c1C=O)Cl)Cl)F
• Canonical SMILES: O=Cc1c(F)cc(cc1Cl)Cl
• InChI: InChI=1S/C7H3Cl2FO/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
• InChIKey: KDTLZLPZFUJFRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-fluorobenzaldehyde
• IUPAC Traditional name: 2,4-dichloro-6-fluorobenzaldehyde
• Synonyms: 2,4-Dichloro-6-fluorobenzaldehyde

Database IDs

• CAS Number: 681435-09-6
• MDL Number: MFCD12404935
• PubChem SID: 162057755
• PubChem CID: 22026356

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0365396
• LogD (pH = 7.4): 3.0365396
• Log P: 3.0365396
• Molar Refractivity: 42.468 cm^3
• Polarizability: 15.849752 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%