7-Chloro-2-formyl-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate
Basic information
- CAS
62018-43-3- Standard SMILES
Cc1c(C=O)[n+](=O)c2cc(Cl)ccc2n1[O-]- InChIKey
CQHVJROKNQTOPV-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O3
- Average molar mass
- 238.63 g/mol
- Monoisotopic mass
- 238.0145198
Names & identifiers
- Preferred name
- 7-Chloro-2-formyl-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate
- IUPAC
- 7-chloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carbaldehyde
Names & synonyms
62018-43-3DTXSID104945977-Chloro-2-formyl-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate
Database identifiers
- CAS
62018-43-3- PubChem CID
- 12367255
- DTXSID
DTXSID10494597
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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