Basic information
- CAS
13442-17-6- Standard SMILES
O=[N+]([O-])c1ccc2c([N+](=O)[O-])cc[n+]([O-])c2c1- InChIKey
FKWGRIVWGOFXRM-UHFFFAOYSA-N- Molecular formula
- C9H5N3O5
- Average molar mass
- 235.15 g/mol
- Monoisotopic mass
- 235.02292027
Names & identifiers
- Preferred name
- Quinoline, 4,7-dinitro-, 1-oxide
- IUPAC
- 4,7-dinitro-1-oxidoquinolin-1-ium
Names & synonyms
Quinoline, 4,7-dinitro-, 1-oxide13442-17-64,7-Dinitroquinoline-1-oxideBRN 1320840CHEMBL3244937DTXSID601586924,7-Dinitro-1-oxo-1lambda~5~-quinoline
Database identifiers
- CAS
13442-17-6- PubChem CID
- 197142
- DTXSID
DTXSID60158692- ChEMBL
CHEMBL3244937- Nikkaji
- J84.917K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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