3-Chloro-2-quinoxalinecarbonitrile 1-oxide
Basic information
- CAS
90415-26-2- Standard SMILES
N#Cc1c(Cl)nc2ccccc2[n+]1[O-]- InChIKey
LNZIFUZVKXDKOE-UHFFFAOYSA-N- Molecular formula
- C9H4ClN3O
- Average molar mass
- 205.6 g/mol
- Monoisotopic mass
- 205.0042895
Names & identifiers
- Preferred name
- 3-Chloro-2-quinoxalinecarbonitrile 1-oxide
- IUPAC
- 3-chloro-1-oxidoquinoxalin-1-ium-2-carbonitrile
Names & synonyms
3-chloro-2-quinoxalinecarbonitrile 1-oxideSCHEMBL6676135LNZIFUZVKXDKOE-UHFFFAOYSA-N2-chloroquinoxaline-3-carbonitrile-4-oxide
Database identifiers
- CAS
90415-26-2- PubChem CID
- 10104412
- DTXSID
DTXSID301251552
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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