2-(1,3-Benzodioxol-5-yl)-3-nitroimidazo[1,2-a]pyrimidine
[CAS# 904816-56-4]

Identification

• Name: 2-(1,3-Benzodioxol-5-yl)-3-nitroimidazo[1,2-a]pyrimidine
• Synonyms: 2-(2H-1,3-benzodioxol-5-yl)-3-nitroimidazo[1,2-a]pyrimidine; 2-Benzo[1,3]dioxol-5-yl-3-nitro-imidazo[1,2-a]pyrimidine
• Molecular Formula: C₁₃H₈N₄O₄
• Molecular Weight: 284.23
• CAS Registry Number: 904816-56-4
• SMILES: c1cnc2nc(c(n2c1)[N+](=O)[O-])c3ccc4c(c3)OCO4
• InChI: 1S/C13H8N4O4/c18-17(19)12-11(15-13-14-4-1-5-16(12)13)8-2-3-9-10(6-8)21-7-20-9/h1-6H,7H2
• InChIKey: MMVQPOIUCMKICV-UHFFFAOYSA-N

Properties

• Density: 1.708g/cm³ (Cal.)
• Refractive index: 1.794 (Cal.)