2-chloro-N-(2-chloro-6-methylphenyl)acetamide

• ChemBase ID: 796597
• Molecular Formular: C9H9Cl2NO
• Molecular Mass: 218.07986
• Monoisotopic Mass: 217.00611927
• SMILES: C(C(=O)Nc1c(cccc1C)Cl)Cl
• Canonical SMILES: ClCC(=O)Nc1c(C)cccc1Cl
• InChI: InChI=1S/C9H9Cl2NO/c1-6-3-2-4-7(11)9(6)12-8(13)5-10/h2-4H,5H2,1H3,(H,12,13)
• InChIKey: BBQZKZIIRKKRBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-chloro-6-methylphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-chloro-6-methylphenyl)acetamide
• Synonyms: 2-Chloro-N-(2-chloro-6-Methylphenyl)acetaMide

Database IDs

• CAS Number: 6307-67-1

CALCULATED PROPERTIES

• Acid pKa: 12.274273
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.865766
• LogD (pH = 7.4): 2.8657606
• Log P: 2.865766
• Molar Refractivity: 55.5202 cm^3
• Polarizability: 20.72987 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%