2-hydroxy-5-nitrobenzamide

• ChemBase ID: 34274
• Molecular Formular: C7H6N2O4
• Molecular Mass: 182.13354
• Monoisotopic Mass: 182.03275668
• SMILES: [N+](=O)(c1cc(C(=O)N)c(cc1)O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(c(c1)C(=O)N)O
• InChI: InChI=1S/C7H6N2O4/c8-7(11)5-3-4(9(12)13)1-2-6(5)10/h1-3,10H,(H2,8,11)
• InChIKey: SVIKHLOGVRDSGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-5-nitrobenzamide
• IUPAC Traditional name: 2-hydroxy-5-nitrobenzamide
• Synonyms: 2-Hydroxy-5-nitrobenzamide

Database IDs

• MDL Number: MFCD12027045
• PubChem SID: 160997581
• PubChem CID: 12325176

CALCULATED PROPERTIES

• Molar Refractivity: 44.442 cm^3
• Polarizability: 15.804505 Å^3
• Polar Surface Area: 109.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 5.8096604
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9389724
• LogD (pH = 7.4): -0.36121082
• Log P: 1.110305

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false