Basic information
- CAS
33241-28-0- Standard SMILES
CCc1c(C)c([N+](=O)[O-])c2ccccc2[n+]1[O-]- InChIKey
JVPFKNQZFFMUFJ-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- 2-Ethyl-3-methyl-4-nitroquinoline 1-oxide
- IUPAC
- 2-ethyl-3-methyl-4-nitro-1-oxidoquinolin-1-ium
Names & synonyms
33241-28-0Quinoline, 2-ethyl-3-methyl-4-nitro-, 1-oxide2-Ethyl-3-methyl-4-nitroquinoline 1-oxideCHEMBL3244938DTXSID801868912-Ethyl-3-methyl-4-nitro-1-oxo-1lambda~5~-quinoline
Database identifiers
- CAS
33241-28-0- PubChem CID
- 147441
- DTXSID
DTXSID80186891- ChEMBL
CHEMBL3244938
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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