4-(3,5-dinitro-1H-1,2,4-triazol-1-yl)butan-2-one

Base Information

• Chemical Name: 4-(3,5-dinitro-1H-1,2,4-triazol-1-yl)butan-2-one
• CAS No.: 60728-90-7
• Molecular Formula: C6H7N5O5
• Molecular Weight: 229.152
• DSSTox Substance ID: DTXSID60393485

Synonyms:60728-90-7;ST4101750;4-(3,5-dinitro-1H-1,2,4-triazol-1-yl)butan-2-one;DTXSID60393485;STK683004;AKOS005597428;3,5-dinitro-1-(3-oxobutyl)-1,2,4-triazole

Chemical Property of 4-(3,5-dinitro-1H-1,2,4-triazol-1-yl)butan-2-one

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 229.04471834
• Heavy Atom Count: 16
• Complexity: 309

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)CCN1C(=NC(=N1)[N+](=O)[O-])[N+](=O)[O-]

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