Basic information
- CAS
71000-85-6- Standard SMILES
O=Nc1c(-c2ccccc2)n(O)[n+]([O-])c1-c1ccccc1- InChIKey
CIEGDCNBYRTIEV-UHFFFAOYSA-N- Molecular formula
- C15H11N3O3
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.08004122
Names & identifiers
- Preferred name
- 1-Hydroxy-4-nitroso-2-oxido-3,5-diphenylpyrazol-2-ium
- IUPAC
- 1-hydroxy-4-nitroso-2-oxido-3,5-diphenylpyrazol-2-ium
Names & synonyms
MLS00311518171000-85-6NSC236249CHEMBL2142793DTXSID90311031NSC-236249SMR0018307644-Nitroso-2-oxo-3,5-diphenyl-1H-2lambda~5~-pyrazol-1-ol
Database identifiers
- CAS
71000-85-6- PubChem CID
- 314951
- DTXSID
DTXSID90311031- ChEMBL
CHEMBL2142793
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…