Basic information
- CAS
50450-89-0- Standard SMILES
COc1cc(C)c(Cl)[n+]([O-])n1- InChIKey
UAGPISSESFBWNE-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O2
- Average molar mass
- 174.58 g/mol
- Monoisotopic mass
- 174.0196052
Names & identifiers
- Preferred name
- 6-Chloro-3-methoxy-5-methyl-1-oxidopyridazin-1-ium
- IUPAC
- 6-chloro-3-methoxy-5-methyl-1-oxidopyridazin-1-ium
Names & synonyms
50450-89-06-chloro-3-methoxy-5-methyl-1-oxidopyridazin-1-iumDTXSID60344871NSC192988NSC-1929886-Chloro-3-methoxy-5-methyl-1-oxo-1lambda~5~-pyridazine
Database identifiers
- CAS
50450-89-0- PubChem CID
- 600041
- DTXSID
DTXSID60344871- Nikkaji
- J1.401.535C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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