2-(2,4-difluorophenyl)acetyl chloride

• ChemBase ID: 100656
• Molecular Formular: C8H5ClF2O
• Molecular Mass: 190.5745064
• Monoisotopic Mass: 189.9996989
• SMILES: O=C(Cc1c(cc(cc1)F)F)Cl
• Canonical SMILES: ClC(=O)Cc1ccc(cc1F)F
• InChI: InChI=1S/C8H5ClF2O/c9-8(12)3-5-1-2-6(10)4-7(5)11/h1-2,4H,3H2
• InChIKey: REYSRIJCIXHMLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorophenyl)acetyl chloride
• IUPAC Traditional name: 2-(2,4-difluorophenyl)acetyl chloride
• Synonyms: 2,4-Difluorophenylacetyl chloride 99%

Database IDs

• MDL Number: MFCD08458139
• PubChem SID: 162087406
• PubChem CID: 15231606

CALCULATED PROPERTIES

• Log P: 2.4297276
• Molar Refractivity: 41.6569 cm^3
• Polarizability: 15.497933 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.078632
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4297276
• LogD (pH = 7.4): 2.4297266

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Keep Cold/Store under Argon