2-[2-[(E)-2-(1,3-Benzodioxol-5-Yl)Ethenyl]-5-Nitroimidazol-1-Yl]Ethanol
[CAS# 74550-86-0]

Identification

• Name: 2-[2-[(E)-2-(1,3-Benzodioxol-5-Yl)Ethenyl]-5-Nitroimidazol-1-Yl]Ethanol
• Synonyms: 2-[2-[2-(1,3-Benzodioxol-5-Yl)Ethenyl]-5-Nitroimidazol-1-Yl]Ethanol; 2-[2-[(E)-2-(1,3-Benzodioxol-5-Yl)Vinyl]-5-Nitro-Imidazol-1-Yl]Ethanol; 2-[2-[2-(1,3-Benzodioxol-5-Yl)Vinyl]-5-Nitro-Imidazol-1-Yl]Ethanol
• Molecular Formula: C₁₄H₁₃N₃O₅
• Molecular Weight: 303.27
• CAS Registry Number: 74550-86-0
• SMILES: C2=CC1=C(OCO1)C=C2/C=C/C3=NC=C([N]3CCO)[N+]([O-])=O
• InChI: 1S/C14H13N3O5/c18-6-5-16-13(15-8-14(16)17(19)20)4-2-10-1-3-11-12(7-10)22-9-21-11/h1-4,7-8,18H,5-6,9H2/b4-2+
• InChIKey: BVVIKCLECBDUPE-DUXPYHPUSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 576.187°C at 760 mmHg (Cal.)
• Flash point: 302.267°C (Cal.)