Basic information
- CAS
17952-96-4- Standard SMILES
O=C1C(c2ccccc2)=[N+]([O-])[N+]([O-])=C1c1ccccc1- InChIKey
DNICYJAAAVXQCV-UHFFFAOYSA-N- Molecular formula
- C15H10N2O3
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.06914219
Names & identifiers
- Preferred name
- 1,2-Dioxido-3,5-diphenylpyrazole-1,2-diium-4-one
- IUPAC
- 1,2-dioxido-3,5-diphenylpyrazole-1,2-diium-4-one
Names & synonyms
NSC23624217952-96-4DTXSID80311025NSC-2362422,5-diphenyl-3,4-diazacyclopentadienone 3,4-dioxide1,2-Dioxo-3,5-diphenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one
Database identifiers
- CAS
17952-96-4- PubChem CID
- 314944
- DTXSID
DTXSID80311025- Nikkaji
- J590.193F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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