2-(4-chlorophenyl)-N-hydroxyacetamide

• ChemBase ID: 262828
• Molecular Formular: C8H8ClNO2
• Molecular Mass: 185.60762
• Monoisotopic Mass: 185.02435618
• SMILES: C(=O)(NO)Cc1ccc(Cl)cc1
• Canonical SMILES: ONC(=O)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C8H8ClNO2/c9-7-3-1-6(2-4-7)5-8(11)10-12/h1-4,12H,5H2,(H,10,11)
• InChIKey: JESDONMAEVRHPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-N-hydroxyacetamide
• IUPAC Traditional name: 2-(4-chlorophenyl)-N-hydroxyacetamide
• Synonyms: 2-(4-chlorophenyl)-N-hydroxyacetamide

Database IDs

• MDL Number: MFCD09940005
• PubChem SID: 164318738
• PubChem CID: 23423499

CALCULATED PROPERTIES

• Acid pKa: 8.859259
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4047254
• LogD (pH = 7.4): 1.390157
• Log P: 1.4049145
• Molar Refractivity: 45.7572 cm^3
• Polarizability: 17.752663 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.057

Product Information

• Purity: 95%