2-Quinoxalinecarbonitrile, 1,4-dioxide
Basic information
- CAS
68100-27-6- Standard SMILES
N#Cc1c[n+](=O)c2ccccc2n1[O-]- InChIKey
BJVCGEWLQTXZLH-UHFFFAOYSA-N- Molecular formula
- C9H5N3O2
- Average molar mass
- 187.15 g/mol
- Monoisotopic mass
- 187.03817641
Names & identifiers
- Preferred name
- 2-Quinoxalinecarbonitrile, 1,4-dioxide
- IUPAC
- 1-oxido-4-oxoquinoxalin-4-ium-2-carbonitrile
Names & synonyms
2-quinoxalinecarbonitrile, 1,4-dioxide68100-27-62-Cyanoquinoxaline1, 4-dioxideDTXSID60218301RefChem:267003DTXCID40140792CHEMBL138759SCHEMBL11689361SCHEMBL304748682-quinoxalinecarbonitrile 1,4-dioxide3-Cyano-1-oxoquinoxalin-1-ium-4(1H)-olate
Database identifiers
- CAS
68100-27-6- PubChem CID
- 188071
- DTXSID
DTXSID60218301- ChEMBL
CHEMBL138759- Nikkaji
- J704.132B
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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