Quinoline, 5-chloro-4-nitro-, 1-oxide
Basic information
- CAS
14076-19-8- Standard SMILES
O=[N+]([O-])c1cc[n+]([O-])c2cccc(Cl)c12- InChIKey
AJDCCZAGSXCPDP-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2O3
- Average molar mass
- 224.6 g/mol
- Monoisotopic mass
- 223.9988697
Names & identifiers
- Preferred name
- Quinoline, 5-chloro-4-nitro-, 1-oxide
- IUPAC
- 5-chloro-4-nitro-1-oxidoquinolin-1-ium
- English name
- Quinoline, 5-chloro-4-nitro-, 1-oxide
- Molecular formula
- C9H5ClN2O3
- Molecular weight
- 224.6
Names & synonyms
14076-19-8Quinoline, 5-chloro-4-nitro-, 1-oxideCHEMBL3244955DTXSID301614715-Chloro-4-nitro-1-oxo-1lambda~5~-quinoline5-CHLORO-4-NITROQUINOLINE-1-OXIDE
Database identifiers
- CAS
14076-19-8- PubChem CID
- 84188
- DTXSID
DTXSID30161471- ChEMBL
CHEMBL3244955- Nikkaji
- J36.516E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 145.5 °C · 145.5°C
- Density
- 1.5839 · 1.5839 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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