3-chloro-4-hydroxybenzohydrazide

• ChemBase ID: 274963
• Molecular Formular: C7H7ClN2O2
• Molecular Mass: 186.59568
• Monoisotopic Mass: 186.01960515
• SMILES: C(=O)(c1cc(c(cc1)O)Cl)NN
• Canonical SMILES: NNC(=O)c1ccc(c(c1)Cl)O
• InChI: InChI=1S/C7H7ClN2O2/c8-5-3-4(7(12)10-9)1-2-6(5)11/h1-3,11H,9H2,(H,10,12)
• InChIKey: UGUNVMQWBRYTIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-4-hydroxybenzohydrazide
• IUPAC Traditional name: 3-chloro-4-hydroxybenzohydrazide
• Synonyms: 3-chloro-4-hydroxybenzohydrazide

Database IDs

• MDL Number: MFCD09809436
• PubChem SID: 164330873
• PubChem CID: 10954268

CALCULATED PROPERTIES

• Acid pKa: 6.902017
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.8102288
• LogD (pH = 7.4): 0.22035162
• Log P: 0.8278898
• Molar Refractivity: 46.4062 cm^3
• Polarizability: 17.167437 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 280 - 282°C
• Hydrophobicity(logP): 0.468

Product Information

• Purity: 95%