Basic information
- CAS
74808-62-1- Standard SMILES
O=[N+]1c2ccccc2COCc2ccccc2N1[O-]- InChIKey
OASOEAALGPCUMN-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- 6-Oxido-11,13-dihydrobenzo[c][6,1,2]benzoxadiazonin-5-ium 5-oxide
- IUPAC
- 6-oxido-11,13-dihydrobenzo[c][6,1,2]benzoxadiazonin-5-ium 5-oxide
Database identifiers
- CAS
74808-62-1- PubChem CID
- 339302
- DTXSID
DTXSID10225782
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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