1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane
Basic information
- CAS
52082-72-1- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)N2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1- InChIKey
UUDBIJMHIGGYCP-UHFFFAOYSA-N- Molecular formula
- C21H18N6O12S3
- Average molar mass
- 642.6 g/mol
- Monoisotopic mass
- 642.01448355
Names & identifiers
- Preferred name
- 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane
- IUPAC
- 1,3,5-tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane
Names & synonyms
1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane52082-72-1DTXSID50345392UUDBIJMHIGGYCP-UHFFFAOYSA-N1,3,5-Tris(4-nitrobenzene-1-sulfonyl)-1,3,5-triazinane1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane #1,3,5-Tris(p-nitrobenzenesulphonyl)-hexahydro-1,3,5-triazine
Database identifiers
- CAS
52082-72-1- PubChem CID
- 604158
- DTXSID
DTXSID50345392
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 275 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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