2-chloro-N-(5-chloro-2-hydroxyphenyl)acetamide

• ChemBase ID: 29921
• Molecular Formular: C8H7Cl2NO2
• Molecular Mass: 220.05268
• Monoisotopic Mass: 218.98538383
• SMILES: C(=O)(CCl)Nc1c(ccc(c1)Cl)O
• Canonical SMILES: ClCC(=O)Nc1cc(Cl)ccc1O
• InChI: InChI=1S/C8H7Cl2NO2/c9-4-8(13)11-6-3-5(10)1-2-7(6)12/h1-3,12H,4H2,(H,11,13)
• InChIKey: VTOWGURRHAVIBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00297054
• PubChem SID: 160993228
• PubChem CID: 7454274

CALCULATED PROPERTIES

• Acid pKa: 8.236361
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0479887
• LogD (pH = 7.4): 1.9901148
• Log P: 2.0487792
• Molar Refractivity: 52.4599 cm^3
• Polarizability: 19.630358 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%