4-chloro-2-hydroxybenzohydrazide

• ChemBase ID: 27273
• Molecular Formular: C7H7ClN2O2
• Molecular Mass: 186.59568
• Monoisotopic Mass: 186.01960515
• SMILES: c1(c(cc(cc1)Cl)O)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1O)Cl
• InChI: InChI=1S/C7H7ClN2O2/c8-4-1-2-5(6(11)3-4)7(12)10-9/h1-3,11H,9H2,(H,10,12)
• InChIKey: FLKSAGLFDHZIOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-hydroxybenzohydrazide
• IUPAC Traditional name: 4-chloro-2-hydroxybenzohydrazide
• Synonyms: 4-Chloro-2-hydroxybenzohydrazide

Database IDs

• CAS Number: 65920-15-2
• MDL Number: MFCD03423143
• PubChem SID: 160990580
• PubChem CID: 4996481

CALCULATED PROPERTIES

• Acid pKa: 7.371587
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.4717512
• LogD (pH = 7.4): 1.1660087
• Log P: 1.4778898
• Molar Refractivity: 46.4062 cm^3
• Polarizability: 17.156115 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): 1.748

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%