3,5-dichloro-4-fluorobenzaldehyde

• ChemBase ID: 289886
• Molecular Formular: C7H3Cl2FO
• Molecular Mass: 193.0025232
• Monoisotopic Mass: 191.9544983
• SMILES: O=Cc1cc(Cl)c(F)c(Cl)c1
• Canonical SMILES: O=Cc1cc(Cl)c(c(c1)Cl)F
• InChI: InChI=1S/C7H3Cl2FO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
• InChIKey: HQMAHFRNJCBIGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-fluorobenzaldehyde
• IUPAC Traditional name: 3,5-dichloro-4-fluorobenzaldehyde
• Synonyms: 3,5-Dichloro-4-fluorobenzaldehyde

Database IDs

• CAS Number: 117820-80-1
• PubChem SID: 180675417
• PubChem CID: 14118322

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: 15.877163 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%