ST080982
Basic information
- CAS
93716-53-1- Standard SMILES
N#Cc1c2ccc([N+](=O)[O-])cc2[n+]([O-])n1-c1ccccc1- InChIKey
PSAFFGQSEHTYPY-UHFFFAOYSA-N- Molecular formula
- C14H8N4O3
- Average molar mass
- 280.24 g/mol
- Monoisotopic mass
- 280.05964013
Names & identifiers
- Preferred name
- ST080982
- IUPAC
- 6-nitro-1-oxido-2-phenylindazol-1-ium-3-carbonitrile
- English name
- 6-Nitro-2-phenyl-2H-indazole-3-carbonitrile 1-oxide
- Molecular formula
- C14H8N4O3
- Molecular weight
- 0
Names & synonyms
93716-53-1ST080982DTXSID10339292RefChem:381450DTXCID502903733-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxideMLS001359907CHEMBL1357277AKOS001741263MB02531SMR001224436SR-01000090695
Show more names
6-nitro-1-oxy-2-phenyl-2H-indazole-3-carbonitrile6-Nitro-2-phenyl-2H-indazole-3-carbonitrile 1-oxide
SR-01000090695-11-hydroxy-6-nitro-2-phenyl-2H-indazole-3-carbonitrile6-NITRO-2-PHENYL-INDAZOLE-3-CARBONITRILE 1-OXIDE6-Nitro-1-oxo-2-phenyl-2H-1lambda~5~-indazole-3-carbonitrile
Database identifiers
- CAS
93716-53-1- PubChem CID
- 555237
- DTXSID
DTXSID10339292- ChEMBL
CHEMBL1357277
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 451
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Related reactions
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Compound notes
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