Basic information
- CAS
30894-80-5- Standard SMILES
O=[N+]([O-])c1ccc(Oc2nc(Cl)nc(Oc3ccc([N+](=O)[O-])cc3)n2)cc1- InChIKey
OJUHIQOXFYMCSH-UHFFFAOYSA-N- Molecular formula
- C15H8ClN5O6
- Average molar mass
- 389.7 g/mol
- Monoisotopic mass
- 389.0163107
Names & identifiers
- Preferred name
- 2-Chloro-4,6-bis(4-nitrophenoxy)-1,3,5-triazine
- IUPAC
- 2-chloro-4,6-bis(4-nitrophenoxy)-1,3,5-triazine
Names & synonyms
2-chloro-4,6-bis(4-nitrophenoxy)-1,3,5-triazine30894-80-5NSC99850DTXSID90275361NSC-99850
Database identifiers
- CAS
30894-80-5- PubChem CID
- 35654
- DTXSID
DTXSID90275361- Nikkaji
- J1.615.833J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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