2-(4-methoxy-3-nitrophenyl)acetohydrazide

• ChemBase ID: 43335
• Molecular Formular: C9H11N3O4
• Molecular Mass: 225.20134
• Monoisotopic Mass: 225.07495585
• SMILES: [N+](=O)(c1c(ccc(c1)CC(=O)NN)OC)[O-]
• Canonical SMILES: NNC(=O)Cc1ccc(c(c1)[N+](=O)[O-])OC
• InChI: InChI=1S/C9H11N3O4/c1-16-8-3-2-6(5-9(13)11-10)4-7(8)12(14)15/h2-4H,5,10H2,1H3,(H,11,13)
• InChIKey: HQGPOGZWAYUTSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxy-3-nitrophenyl)acetohydrazide
• IUPAC Traditional name: 2-(4-methoxy-3-nitrophenyl)acetohydrazide
• Synonyms: 2-(4-Methoxy-3-nitrophenyl)acetohydrazide

Database IDs

• MDL Number: MFCD09754969
• PubChem SID: 162048098
• PubChem CID: 17245091

CALCULATED PROPERTIES

• Acid pKa: 11.534555
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.28811452
• LogD (pH = 7.4): 0.2898373
• Log P: 0.2898887
• Molar Refractivity: 57.4598 cm^3
• Polarizability: 21.133093 Å^3
• Polar Surface Area: 110.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 159 °C; 158-159°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%