Basic information
- CAS
14043-38-0- Standard SMILES
O=[N+]([O-])c1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)nc(-c3cccc([N+](=O)[O-])c3)n2)c1- InChIKey
IQZYIIKODKVQIL-UHFFFAOYSA-N- Molecular formula
- C21H12N6O6
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 444.08183212
Names & identifiers
- Preferred name
- 2,4,6-Tris(3-nitrophenyl)-1,3,5-triazine
- IUPAC
- 2,4,6-tris(3-nitrophenyl)-1,3,5-triazine
Names & synonyms
2,4,6-tris(3-nitrophenyl)-1,3,5-triazineDTXSID3027481314043-38-0RefChem:245912DTXCID30226271
Database identifiers
- CAS
14043-38-0- PubChem CID
- 26420
- DTXSID
DTXSID30274813- Nikkaji
- J1.556.884D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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