2,4-dichloro-5-fluorobenzaldehyde

• ChemBase ID: 93118
• Molecular Formular: C7H3Cl2FO
• Molecular Mass: 193.0025232
• Monoisotopic Mass: 191.9544983
• SMILES: O=Cc1c(cc(c(c1)F)Cl)Cl
• Canonical SMILES: O=Cc1cc(F)c(cc1Cl)Cl
• InChI: InChI=1S/C7H3Cl2FO/c8-5-2-6(9)7(10)1-4(5)3-11/h1-3H
• InChIKey: WGCCHXURNGWJIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5-fluorobenzaldehyde
• IUPAC Traditional name: 2,4-dichloro-5-fluorobenzaldehyde
• Synonyms: 2,4-Dichloro-5-fluorobenzaldehyde

Database IDs

• CAS Number: 86522-91-0
• MDL Number: MFCD01631379
• PubChem SID: 162079803
• PubChem CID: 2774009

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: 15.864044 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%