2,4,6-Trinitro-1,3,5-triazine
Basic information
- CAS
140218-59-3- Standard SMILES
O=[N+]([O-])c1nc([N+](=O)[O-])nc([N+](=O)[O-])n1- InChIKey
NPNRPQIHDJKWMW-UHFFFAOYSA-N- Molecular formula
- C3N6O6
- Average molar mass
- 216.07 g/mol
- Monoisotopic mass
- 215.98793174
Names & identifiers
- Preferred name
- 2,4,6-Trinitro-1,3,5-triazine
- IUPAC
- 2,4,6-trinitro-1,3,5-triazine
Names & synonyms
2,4,6-trinitro-1,3,5-triazine140218-59-3DTXSID10621341RefChem:245852DTXCID00572095SCHEMBL2042482Q7842523
Database identifiers
- CAS
140218-59-3- PubChem CID
- 21997109
- DTXSID
DTXSID10621341- Nikkaji
- J807.360K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
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Related reactions
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Compound notes
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