Basic information
- CAS
53619-56-0- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)c2c1no[n+]2[O-]- InChIKey
GJYADZLGZYGMJL-UHFFFAOYSA-N- Molecular formula
- C12H7N3O6S
- Average molar mass
- 321.27 g/mol
- Monoisotopic mass
- 321.00555613
Names & identifiers
- Preferred name
- 7-(Benzenesulfonyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
- IUPAC
- 4-(benzenesulfonyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Names & synonyms
53619-56-0NSC228114DTXSID303105437-(Benzenesulfonyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazoleNSC-228114
Database identifiers
- CAS
53619-56-0- PubChem CID
- 313585
- DTXSID
DTXSID30310543
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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