2-(2-nitrophenoxy)acetohydrazide

• ChemBase ID: 27179
• Molecular Formular: C8H9N3O4
• Molecular Mass: 211.17476
• Monoisotopic Mass: 211.05930578
• SMILES: [N+](=O)(c1c(OCC(=O)NN)cccc1)[O-]
• Canonical SMILES: NNC(=O)COc1ccccc1[N+](=O)[O-]
• InChI: InChI=1S/C8H9N3O4/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)
• InChIKey: QUTJSDSZEWQPSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-nitrophenoxy)acetohydrazide
• IUPAC Traditional name: 2-(2-nitrophenoxy)acetohydrazide
• Synonyms: 2-(2-Nitrophenoxy)acetohydrazide; (2-Nitro-phenoxy)-acetic acid hydrazide

Database IDs

• CAS Number: 77729-22-7
• MDL Number: MFCD00806916
• PubChem SID: 160990486
• PubChem CID: 719765

CALCULATED PROPERTIES

• Acid pKa: 11.103521
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.12870307
• LogD (pH = 7.4): 0.13002789
• Log P: 0.13012373
• Molar Refractivity: 52.2368 cm^3
• Polarizability: 19.317343 Å^3
• Polar Surface Area: 110.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.028

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%