2-nitroacetohydrazide

• ChemBase ID: 76811
• Molecular Formular: C2H5N3O3
• Molecular Mass: 119.0794
• Monoisotopic Mass: 119.03309104
• SMILES: [N+](=O)(CC(=O)NN)[O-]
• Canonical SMILES: [O-][N+](=O)CC(=O)NN
• InChI: InChI=1S/C2H5N3O3/c3-4-2(6)1-5(7)8/h1,3H2,(H,4,6)
• InChIKey: RDMOOVWZZPJQHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-nitroacetohydrazide
• IUPAC Traditional name: 2-nitroacetohydrazide
• Synonyms: 2-Nitroacetohydrazide

Database IDs

• MDL Number: MFCD02255626
• PubChem SID: 162041713
• PubChem CID: 4039690

CALCULATED PROPERTIES

• Acid pKa: 7.263409
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6156133
• LogD (pH = 7.4): -1.979853
• Log P: -1.6059004
• Molar Refractivity: 24.9785 cm^3
• Polarizability: 9.24084 Å^3
• Polar Surface Area: 100.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant