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

• ChemBase ID: 802867
• Molecular Formular: C7H6N2O4
• Molecular Mass: 182.13354
• Monoisotopic Mass: 182.03275668
• SMILES: C(=O)Nc1c(cc(cc1)O)[N+](=O)[O-]
• Canonical SMILES: O=CNc1ccc(cc1[N+](=O)[O-])O
• InChI: InChI=1S/C7H6N2O4/c10-4-8-6-2-1-5(11)3-7(6)9(12)13/h1-4,11H,(H,8,10)
• InChIKey: FENPZLQWKXNRMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxy-2-nitrophenyl)formamide
• IUPAC Traditional name: N-(4-hydroxy-2-nitrophenyl)formamide
• Synonyms: FORMAMIDE, N-(4-HYDROXY-2-NITROPHENYL)-

Database IDs

• CAS Number: 175476-02-5

CALCULATED PROPERTIES

• Acid pKa: 8.032531
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.79741335
• LogD (pH = 7.4): 0.70843446
• Log P: 0.7986764
• Molar Refractivity: 44.7319 cm^3
• Polarizability: 15.991583 Å^3
• Polar Surface Area: 92.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%