2-(2-chlorophenyl)acetyl chloride

• ChemBase ID: 282628
• Molecular Formular: C8H6Cl2O
• Molecular Mass: 189.03864
• Monoisotopic Mass: 187.97957017
• SMILES: C(=O)(Cc1c(Cl)cccc1)Cl
• Canonical SMILES: ClC(=O)Cc1ccccc1Cl
• InChI: InChI=1S/C8H6Cl2O/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2
• InChIKey: WIHSAOYVGKVRJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)acetyl chloride
• IUPAC Traditional name: 2-(2-chlorophenyl)acetyl chloride
• Synonyms: 2-(2-chlorophenyl)acetyl chloride

Database IDs

• MDL Number: MFCD00130223
• PubChem SID: 180668159
• PubChem CID: 182669

CALCULATED PROPERTIES

• Acid pKa: 14.189948
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7483685
• LogD (pH = 7.4): 2.7483683
• Log P: 2.7483685
• Molar Refractivity: 46.0289 cm^3
• Polarizability: 17.849394 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.612

Product Information

• Purity: 95%