5-chloro-2-hydroxybenzohydrazide

• ChemBase ID: 27140
• Molecular Formular: C7H7ClN2O2
• Molecular Mass: 186.59568
• Monoisotopic Mass: 186.01960515
• SMILES: c1(C(=O)NN)c(ccc(c1)Cl)O
• Canonical SMILES: NNC(=O)c1cc(Cl)ccc1O
• InChI: InChI=1S/C7H7ClN2O2/c8-4-1-2-6(11)5(3-4)7(12)10-9/h1-3,11H,9H2,(H,10,12)
• InChIKey: MIVLIGXZOGZELS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-hydroxybenzohydrazide
• IUPAC Traditional name: 5-chloro-2-hydroxybenzohydrazide
• Synonyms: 5-Chloro-2-hydroxybenzohydrazide

Database IDs

• CAS Number: 5022-48-0
• MDL Number: MFCD01001347
• PubChem SID: 160990447
• PubChem CID: 2794870

CALCULATED PROPERTIES

• Acid pKa: 7.58418
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.4739841
• LogD (pH = 7.4): 1.2613858
• Log P: 1.4778898
• Molar Refractivity: 46.4062 cm^3
• Polarizability: 17.145159 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false