2,4,6-Tris(trinitromethyl)-1,3,5-triazine

Base Information

• Chemical Name: 2,4,6-Tris(trinitromethyl)-1,3,5-triazine
• CAS No.: 161870-33-3
• Molecular Formula: C₆N₁₂O₁₈
• Molecular Weight: 528.136
• DSSTox Substance ID: DTXSID901027076
• Nikkaji Number: J1.044.124B
• Wikidata: Q751692
• Wikipedia: 2,4,6-Tris(trinitromethyl)-1,3,5-triazine

Synonyms:2,4,6-tris(trinitromethyl)-1,3,5-triazine;SCHEMBL12990073;DTXSID901027076;161870-33-3;Q751692

Chemical Property of 2,4,6-Tris(trinitromethyl)-1,3,5-triazine

Chemical Property:

• XLogP3: -0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 3
• Exact Mass: 527.94535120
• Heavy Atom Count: 36
• Complexity: 782

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

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