Basic information
- CAS
3741-12-6- Standard SMILES
O=[N+]([O-])c1cc[n+]([O-])c2ccc(Cl)cc12- InChIKey
WJRQJTJYCZGDBW-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2O3
- Average molar mass
- 224.6 g/mol
- Monoisotopic mass
- 223.9988697
Names & identifiers
- Preferred name
- Quinoline, 6-chloro-4-nitro-, 1-oxide
- IUPAC
- 6-chloro-4-nitro-1-oxidoquinolin-1-ium
- English name
- 6-CHLORO-4-NITROQUINOLINE-1-OXIDE
- Molecular weight
- 0
Names & synonyms
6-Chloro-4-nitroquinoline 1-oxideQuinoline, 6-chloro-4-nitro-, 1-oxide3741-12-66-chloro-4-nitroquinolin-1-ium-1-olateBU3ACY2KQ4CHEMBL3244951DTXSID90190848chloro-4-nitroquinoline-n-oxide, 6-6-Chloro-4-nitro-1-oxo-1lambda~5~-quinoline6-CHLORO-4-NITROQUINOLINE-1-OXIDE
Database identifiers
- CAS
3741-12-6- PubChem CID
- 77339
- DTXSID
DTXSID90190848- ChEMBL
CHEMBL3244951- UNII
- BU3ACY2KQ4
- Nikkaji
- J2.195D
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 194 °C · 194°C
- Boiling point
- 140.5 °C · 140.5°C (rough estimate)
- Density
- 1.5839 · 1.5839 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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