2-[(2,5-dichlorophenyl)amino]acetohydrazide

• ChemBase ID: 60473
• Molecular Formular: C8H9Cl2N3O
• Molecular Mass: 234.08256
• Monoisotopic Mass: 233.01226728
• SMILES: C(=O)(NN)CNc1cc(ccc1Cl)Cl
• Canonical SMILES: NNC(=O)CNc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C8H9Cl2N3O/c9-5-1-2-6(10)7(3-5)12-4-8(14)13-11/h1-3,12H,4,11H2,(H,13,14)
• InChIKey: NOLAEIUIWXMNPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2,5-dichlorophenyl)amino]acetohydrazide
• IUPAC Traditional name: 2-[(2,5-dichlorophenyl)amino]acetohydrazide
• Synonyms: 2-[(2,5-Dichlorophenyl)amino]acetohydrazide

Database IDs

• MDL Number: MFCD04002017
• PubChem SID: 162026214
• PubChem CID: 7060849

CALCULATED PROPERTIES

• Acid pKa: 11.066131
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.0276104
• LogD (pH = 7.4): 1.0285803
• Log P: 1.0286783
• Molar Refractivity: 58.2523 cm^3
• Polarizability: 21.620857 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