2-chloro-N-(2,5-dichlorophenyl)acetamide

• ChemBase ID: 26906
• Molecular Formular: C8H6Cl3NO
• Molecular Mass: 238.49834
• Monoisotopic Mass: 236.95149686
• SMILES: c1(NC(=O)CCl)cc(ccc1Cl)Cl
• Canonical SMILES: ClCC(=O)Nc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C8H6Cl3NO/c9-4-8(13)12-7-3-5(10)1-2-6(7)11/h1-3H,4H2,(H,12,13)
• InChIKey: JFNUGEOTKCWVJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,5-dichlorophenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2,5-dichlorophenyl)acetamide
• Synonyms: 2-Chloro-N-(2,5-dichlorophenyl)acetamide

Database IDs

• CAS Number: 22303-26-0
• MDL Number: MFCD00195389
• PubChem SID: 160990213
• PubChem CID: 222363

CALCULATED PROPERTIES

• Acid pKa: 12.042996
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9563892
• LogD (pH = 7.4): 2.95638
• Log P: 2.9563894
• Molar Refractivity: 55.2838 cm^3
• Polarizability: 20.925648 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.698

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%