2-[3-Chloro-2-(chloromethyl)prop-1-en-1-yl]-1-methyl-5-nitro-1H-imidazole

Base Information

• Chemical Name: 2-[3-Chloro-2-(chloromethyl)prop-1-en-1-yl]-1-methyl-5-nitro-1H-imidazole
• CAS No.: 177937-86-9
• Molecular Formula: C₈H₉Cl₂N₃O₂
• Molecular Weight: 250.084
• DSSTox Substance ID: DTXSID40570439
• Nikkaji Number: J713.714A

Synonyms:177937-86-9;2-[3-Chloro-2-(chloromethyl)prop-1-en-1-yl]-1-methyl-5-nitro-1H-imidazole;DTXSID40570439

Chemical Property of 2-[3-Chloro-2-(chloromethyl)prop-1-en-1-yl]-1-methyl-5-nitro-1H-imidazole

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.0071819
• Heavy Atom Count: 15
• Complexity: 261

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MSDS Files:

Useful:

• Canonical SMILES: CN1C(=CN=C1C=C(CCl)CCl)[N+](=O)[O-]

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