2-chloro-N-(2,4,6-trichlorophenyl)acetamide

• ChemBase ID: 62563
• Molecular Formular: C8H5Cl4NO
• Molecular Mass: 272.9434
• Monoisotopic Mass: 270.91252451
• SMILES: c1(c(cc(cc1Cl)Cl)Cl)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1c(Cl)cc(cc1Cl)Cl
• InChI: InChI=1S/C8H5Cl4NO/c9-3-7(14)13-8-5(11)1-4(10)2-6(8)12/h1-2H,3H2,(H,13,14)
• InChIKey: PXPBIOJVDMLMKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,4,6-trichlorophenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2,4,6-trichlorophenyl)acetamide
• Synonyms: 2-Chloro-N-(2,4,6-trichloro-phenyl)-acetamide; 2-chloro-N-(2,4,6-trichlorophenyl)acetamide

Database IDs

• CAS Number: 22303-34-0
• MDL Number: MFCD00018890
• PubChem SID: 162028302
• PubChem CID: 31122

CALCULATED PROPERTIES

• Acid pKa: 11.35315
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5604334
• LogD (pH = 7.4): 3.560388
• Log P: 3.560434
• Molar Refractivity: 60.0886 cm^3
• Polarizability: 22.914192 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.592

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%