2-[(2-chlorophenyl)amino]acetohydrazide

• ChemBase ID: 21613
• Molecular Formular: C8H10ClN3O
• Molecular Mass: 199.6375
• Monoisotopic Mass: 199.05123964
• SMILES: C(=O)(NN)CNc1c(Cl)cccc1
• Canonical SMILES: NNC(=O)CNc1ccccc1Cl
• InChI: InChI=1S/C8H10ClN3O/c9-6-3-1-2-4-7(6)11-5-8(13)12-10/h1-4,11H,5,10H2,(H,12,13)
• InChIKey: TYYIIDNUIOPYMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-chlorophenyl)amino]acetohydrazide
• IUPAC Traditional name: 2-[(2-chlorophenyl)amino]acetohydrazide
• Synonyms: 2-(2-Chloroanilino)acetohydrazide

Database IDs

• MDL Number: MFCD02006273
• PubChem SID: 160984920
• PubChem CID: 302653

CALCULATED PROPERTIES

• Acid pKa: 11.861903
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.42355913
• LogD (pH = 7.4): 0.4246065
• Log P: 0.42463362
• Molar Refractivity: 53.4475 cm^3
• Polarizability: 19.689262 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false