2-chloro-N-(4-hydroxyphenyl)acetamide

• ChemBase ID: 252019
• Molecular Formular: C8H8ClNO2
• Molecular Mass: 185.60762
• Monoisotopic Mass: 185.02435618
• SMILES: C(=O)(Nc1ccc(cc1)O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)O
• InChI: InChI=1S/C8H8ClNO2/c9-5-8(12)10-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,10,12)
• InChIKey: MOICCNYVOWJAOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-hydroxyphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(4-hydroxyphenyl)acetamide
• Synonyms: 2-chloro-N-(4-hydroxyphenyl)acetamide

Database IDs

• CAS Number: 2153-11-9
• MDL Number: MFCD00709262
• PubChem SID: 164307929
• PubChem CID: 236323

CALCULATED PROPERTIES

• Acid pKa: 9.448648
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.444686
• LogD (pH = 7.4): 1.4408919
• Log P: 1.4447347
• Molar Refractivity: 47.6551 cm^3
• Polarizability: 17.687544 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 1.107

Product Information

• Purity: 95%