2-(2,6-dichlorophenyl)acetyl chloride

• ChemBase ID: 256821
• Molecular Formular: C8H5Cl3O
• Molecular Mass: 223.4837
• Monoisotopic Mass: 221.94059782
• SMILES: c1(CC(=O)Cl)c(Cl)cccc1Cl
• Canonical SMILES: ClC(=O)Cc1c(Cl)cccc1Cl
• InChI: InChI=1S/C8H5Cl3O/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2
• InChIKey: VFRDBQGBQYINBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dichlorophenyl)acetyl chloride
• IUPAC Traditional name: 2-(2,6-dichlorophenyl)acetyl chloride
• Synonyms: (2,6-dichlorophenyl)acetyl chloride

Database IDs

• MDL Number: MFCD03424717
• PubChem SID: 164312731
• PubChem CID: 2758148

CALCULATED PROPERTIES

• Acid pKa: 13.051215
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3524132
• LogD (pH = 7.4): 3.3524122
• Log P: 3.3524132
• Molar Refractivity: 50.8337 cm^3
• Polarizability: 19.797867 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.325

Product Information

• Purity: 95%