Basic information
- CAS
3741-14-8- Standard SMILES
CCc1cc([N+](=O)[O-])c2ccccc2[n+]1[O-]- InChIKey
PRKXMDAZSIZPDV-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.06914219
Names & identifiers
- Preferred name
- 2-Ethyl-4-nitroquinoline 1-oxide
- IUPAC
- 2-ethyl-4-nitro-1-oxidoquinolin-1-ium
Names & synonyms
2-Ethyl-4-nitroquinoline 1-oxide3741-14-8CHEMBL3244933
Database identifiers
- CAS
3741-14-8- PubChem CID
- 77340
- DTXSID
DTXSID9073965- ChEMBL
CHEMBL3244933
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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