Basic information
- CAS
62809-15-8- Standard SMILES
CCOc1n[n+]([O-])c(Cl)cc1[N+](=O)[O-]- InChIKey
QRZFQGWLAPXNDS-UHFFFAOYSA-N- Molecular formula
- C6H6ClN3O4
- Average molar mass
- 219.58 g/mol
- Monoisotopic mass
- 219.0046834
Names & identifiers
- Preferred name
- Pyridazine, 6-chloro-3-ethoxy-4-nitro-, 1-oxide
- IUPAC
- 6-chloro-3-ethoxy-4-nitro-1-oxidopyridazin-1-ium
Names & synonyms
Pyridazine, 6-chloro-3-ethoxy-4-nitro-, 1-oxide62809-15-8DTXSID302119056-Chloro-3-ethoxy-4-nitropyridazine 1-oxideBRN 0798109RefChem:376367DTXCID20134396NSC 294845NSC294845NSC-2948456-Chloro-3-ethoxy-4-nitro-1-oxo-1lambda~5~-pyridazine
Database identifiers
- CAS
62809-15-8- PubChem CID
- 100396
- DTXSID
DTXSID30211905
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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