Abunidazole
[CAS# 91017-58-2]

Identification

• Name: Abunidazole
• Synonyms: 4-Tert-Butyl-2-[Hydroxy-(1-Methyl-5-Nitro-Imidazol-2-Yl)Methyl]Phenol; 4-Tert-Butyl-2-[Hydroxy-(1-Methyl-5-Nitro-2-Imidazolyl)Methyl]Phenol; (Rs)-5-Tert-Butyl-2-(1-Methyl-5-Nitro-2-Imidazolyl)Salicylalkohol
• Molecular Formula: C₁₅H₁₉N₃O₄
• Molecular Weight: 305.33
• CAS Registry Number: 91017-58-2
• SMILES: C1=C([N](C(=N1)C(C2=C(C=CC(=C2)C(C)(C)C)O)O)C)[N+](=O)[O-]
• InChI: 1S/C15H19N3O4/c1-15(2,3)9-5-6-11(19)10(7-9)13(20)14-16-8-12(17(14)4)18(21)22/h5-8,13,19-20H,1-4H3
• InChIKey: DBOZSKOENGSGEJ-UHFFFAOYSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 529.397°C at 760 mmHg (Cal.)
• Flash point: 273.97°C (Cal.)