5,5-Dinitro-1,3-diazinane-2,4,6-trione

Base Information

• Chemical Name: 5,5-Dinitro-1,3-diazinane-2,4,6-trione
• CAS No.: 269077-45-4
• Molecular Formula: C4H2N4O7
• Molecular Weight: 218.082
• DSSTox Substance ID: DTXSID80453479
• Nikkaji Number: J1.280.481D
• Wikidata: Q82274623

Synonyms:269077-45-4;5,5-dinitro-1,3-diazinane-2,4,6-trione;5,5-dinitrobarbituric acid;5,5-Dinitro-2,4,6(1H,3H,5H)-pyriMidinetrione;SCHEMBL6655756;DTXSID80453479;AKOS015951095;5,5-Dinitropyrimidine-2,4,6(1H,3H,5H)-trione

Chemical Property of 5,5-Dinitro-1,3-diazinane-2,4,6-trione

Chemical Property:

• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 217.99234842
• Heavy Atom Count: 15
• Complexity: 353

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1(=O)C(C(=O)NC(=O)N1)([N+](=O)[O-])[N+](=O)[O-]

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