N'-(4-nitrophenyl)acetohydrazide

• ChemBase ID: 102859
• Molecular Formular: C8H9N3O3
• Molecular Mass: 195.17536
• Monoisotopic Mass: 195.06439116
• SMILES: CC(=O)NNc1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: CC(=O)NNc1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C8H9N3O3/c1-6(12)9-10-7-2-4-8(5-3-7)11(13)14/h2-5,10H,1H3,(H,9,12)
• InChIKey: JBEVBBJOOYCIGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(4-nitrophenyl)acetohydrazide
• IUPAC Traditional name: N'-(4-nitrophenyl)acetohydrazide
• Synonyms: ACETIC ACID p-NITROPHENYL HYDRAZIDE

Database IDs

• PubChem SID: 162105690
• PubChem CID: 3404344

CALCULATED PROPERTIES

• Acid pKa: 12.60477
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0118989
• LogD (pH = 7.4): 1.0118965
• Log P: 1.011899
• Molar Refractivity: 51.4712 cm^3
• Polarizability: 18.305187 Å^3
• Polar Surface Area: 86.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02104764

Crystalline
Yellow/green color