2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Basic information
- CAS
39576-79-9- Standard SMILES
Cc1c(Br)[n+](=O)c2ccccc2n1[O-]- InChIKey
KDIMRJYAZMXDAP-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2O2
- Average molar mass
- 255.07 g/mol
- Monoisotopic mass
- 253.96909
Names & identifiers
- Preferred name
- 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
- IUPAC
- 2-bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Names & synonyms
39576-79-92-bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxideNSC356029DTXSID50320184NSC-3560292-Bromo-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate
Database identifiers
- CAS
39576-79-9- PubChem CID
- 337541
- DTXSID
DTXSID50320184
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 303
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Compound notes
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