Basic information
- CAS
81581-95-5- Standard SMILES
O=[N+]([O-])c1ccc([N+](=O)[O-])c2nonc12- InChIKey
NKCFZRHQEISCBG-UHFFFAOYSA-N- Molecular formula
- C6H2N4O5
- Average molar mass
- 210.1 g/mol
- Monoisotopic mass
- 210.00251918
Names & identifiers
- Preferred name
- 2,1,3-Benzoxadiazole, 4,7-dinitro-
- IUPAC
- 4,7-dinitro-2,1,3-benzoxadiazole
Names & synonyms
2,1,3-Benzoxadiazole, 4,7-dinitro-81581-95-5DTXSID20345102RefChem:241870DTXCID302961764,7-Dinitro-2,1,3-benzoxadiazole4,7-Dinitro-benzo[1,2,5]oxadiazoleSCHEMBL7052057NKCFZRHQEISCBG-UHFFFAOYSA-N4,7-Dinitro-2,1,3-benzoxadiazole #
Database identifiers
- CAS
81581-95-5- PubChem CID
- 601892
- DTXSID
DTXSID20345102
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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