N-(4-hydroxy-2-nitrophenyl)acetamide

• ChemBase ID: 175180
• Molecular Formular: C8H8N2O4
• Molecular Mass: 196.16012
• Monoisotopic Mass: 196.04840675
• SMILES: c1c(ccc(c1[N+](=O)[O-])NC(=O)C)O
• Canonical SMILES: CC(=O)Nc1ccc(cc1[N+](=O)[O-])O
• InChI: InChI=1S/C8H8N2O4/c1-5(11)9-7-3-2-6(12)4-8(7)10(13)14/h2-4,12H,1H3,(H,9,11)
• InChIKey: OZZKMZSOGAOIFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxy-2-nitrophenyl)acetamide
• IUPAC Traditional name: N-(4-hydroxy-2-nitrophenyl)acetamide
• Synonyms: N-(4-Hydroxy-2-nitrophenyl)acetamide; 1-Acetamido-4-hydroxy-2-nitrobenzene; 4-Acetamido-3-nitrophenol; 4'-Hydroxy-2'-nitroacetanilide; NSC 400387; 3-Nitro-4-acetamidophenol

Database IDs

• CAS Number: 7403-75-0
• PubChem SID: 164231090
• PubChem CID: 4024832

CALCULATED PROPERTIES

• Acid pKa: 8.385104
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.84681356
• LogD (pH = 7.4): 0.8049189
• Log P: 0.84737504
• Molar Refractivity: 50.2266 cm^3
• Polarizability: 17.804365 Å^3
• Polar Surface Area: 95.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Yellow to Orange Solid
• Melting Point: 218-220°C

Safety Information

• Storage Condition: Refrigerator