4-chloro-2-hydroxybenzamide

• ChemBase ID: 264887
• Molecular Formular: C7H6ClNO2
• Molecular Mass: 171.58104
• Monoisotopic Mass: 171.00870612
• SMILES: c1(c(cc(cc1)Cl)O)C(=O)N
• Canonical SMILES: Clc1ccc(c(c1)O)C(=O)N
• InChI: InChI=1S/C7H6ClNO2/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3,10H,(H2,9,11)
• InChIKey: NXRFMWBOQWRGFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-hydroxybenzamide
• IUPAC Traditional name: 4-chloro-2-hydroxybenzamide
• Synonyms: 4-chloro-2-hydroxybenzamide

Database IDs

• MDL Number: MFCD11130856
• PubChem SID: 164320797
• PubChem CID: 13726281

CALCULATED PROPERTIES

• Acid pKa: 7.4706035
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7697786
• LogD (pH = 7.4): 1.5100249
• Log P: 1.7743654
• Molar Refractivity: 41.9221 cm^3
• Polarizability: 15.72199 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188 - 190°C
• Hydrophobicity(logP): 2.144

Product Information

• Purity: 95%