Basic information
- Standard SMILES
COc1cc([N+](=O)[O-])ccc1-c1cn[n+]([O-])c(C)c1- InChIKey
ZOWZRKYKWLGMDF-UHFFFAOYSA-N- Molecular formula
- C12H11N3O4
- Average molar mass
- 261.23 g/mol
Names & identifiers
- Preferred name
- 4-(2-Methoxy-4-nitrophenyl)-6-methylpyridazine 1-oxide
- IUPAC
- 4-(2-methoxy-4-nitrophenyl)-6-methyl-1-oxidopyridazin-1-ium
Names & synonyms
SCHEMBL959758ZOWZRKYKWLGMDF-UHFFFAOYSA-N4-(2-methoxy-4-nitrophenyl)-6-methylpyridazine 1-oxide
Database identifiers
- PubChem CID
- 66857993
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Related reactions
2 records
Compound notes
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