4-chloro-N-hydroxybenzamide

• ChemBase ID: 242413
• Molecular Formular: C7H6ClNO2
• Molecular Mass: 171.58104
• Monoisotopic Mass: 171.00870612
• SMILES: C(=O)(c1ccc(cc1)Cl)NO
• Canonical SMILES: ONC(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C7H6ClNO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10)
• InChIKey: DODOQPRLYSBBHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03551074
• PubChem SID: 164298323
• PubChem CID: 587178

CALCULATED PROPERTIES

• Acid pKa: 9.648226
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4247184
• LogD (pH = 7.4): 1.4223146
• Log P: 1.424749
• Molar Refractivity: 41.7058 cm^3
• Polarizability: 15.730081 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 170 - 172°C
• Hydrophobicity(logP): 1.17

Product Information

• Purity: 95%