Basic information
- CAS
84802-78-8- Standard SMILES
Nc1ccc(C2C(=[N+]([O-])[O-])C=C([N+](=O)[O-])c3[nH]o[n+](=O)c32)cc1- InChIKey
TYAOPXQOPUVLHO-UHFFFAOYSA-N- Molecular formula
- C12H9N5O6
- Average molar mass
- 319.23 g/mol
- Monoisotopic mass
- 319.05528302
Names & identifiers
- Preferred name
- [7-(4-Aminophenyl)-4-nitro-1-oxo-3,7-dihydro-2,1,3-benzoxadiazol-1-ium-6-ylidene]-dioxidoazanium
- IUPAC
- [7-(4-aminophenyl)-4-nitro-1-oxo-3,7-dihydro-2,1,3-benzoxadiazol-1-ium-6-ylidene]-dioxidoazanium
Names & synonyms
NSC37738084802-78-8DTXSID40321544NSC-3773807-(4-Aminophenyl)-4-nitro-N-oxido-1-oxo-3,7-dihydro-2,1,3-benzoxadiazol-1-ium-6(1H)-imine N-oxide
Database identifiers
- CAS
84802-78-8- PubChem CID
- 342107
- DTXSID
DTXSID40321544
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 651
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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