2-(2,4-dichloro-5-fluorophenyl)acetyl chloride

• ChemBase ID: 811858
• Molecular Formular: C8H4Cl3FO
• Molecular Mass: 241.4741632
• Monoisotopic Mass: 239.93117601
• SMILES: C(=O)(Cc1c(cc(c(c1)F)Cl)Cl)Cl
• Canonical SMILES: ClC(=O)Cc1cc(F)c(cc1Cl)Cl
• InChI: InChI=1S/C8H4Cl3FO/c9-5-3-6(10)7(12)1-4(5)2-8(11)13/h1,3H,2H2
• InChIKey: HXAZVXSPZPCODE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dichloro-5-fluorophenyl)acetyl chloride
• IUPAC Traditional name: 2-(2,4-dichloro-5-fluorophenyl)acetyl chloride
• Synonyms: 2,4-DICHLORO-5-FLUOROPHENYLACETYL CHLORIDE

CALCULATED PROPERTIES

• Acid pKa: 13.164499
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.495115
• LogD (pH = 7.4): 3.4951143
• Log P: 3.495115
• Molar Refractivity: 51.0501 cm^3
• Polarizability: 19.639017 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%