2-chloro-N-(2,3,5,6-tetrachlorophenyl)acetamide

• ChemBase ID: 234357
• Molecular Formular: C8H4Cl5NO
• Molecular Mass: 307.38846
• Monoisotopic Mass: 304.87355215
• SMILES: c1(c(c(cc(c1Cl)Cl)Cl)Cl)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1c(Cl)c(Cl)cc(c1Cl)Cl
• InChI: InChI=1S/C8H4Cl5NO/c9-2-5(15)14-8-6(12)3(10)1-4(11)7(8)13/h1H,2H2,(H,14,15)
• InChIKey: JKLYTUFJGMKSTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,3,5,6-tetrachlorophenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2,3,5,6-tetrachlorophenyl)acetamide
• Synonyms: 2-chloro-N-(2,3,5,6-tetrachlorophenyl)acetamide

Database IDs

• CAS Number: 121806-76-6
• MDL Number: MFCD06356476
• PubChem SID: 164290267
• PubChem CID: 2497516

CALCULATED PROPERTIES

• Acid pKa: 11.145832
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.164478
• LogD (pH = 7.4): 4.1644044
• Log P: 4.164479
• Molar Refractivity: 64.8934 cm^3
• Polarizability: 24.946535 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.196

Product Information

• Purity: 95%