Basic information
- CAS
97944-33-7- Standard SMILES
Cc1cc(Cl)c[n+]([O-])c1- InChIKey
JSDPTSPBGGKIIR-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO
- Average molar mass
- 143.57 g/mol
- Monoisotopic mass
- 143.0137915
Names & identifiers
- Preferred name
- 3-Chloro-5-methylpyridin-1-ium-1-olate
- IUPAC
- 3-chloro-5-methyl-1-oxidopyridin-1-ium
Names & synonyms
97944-33-73-chloro-5-methylpyridin-1-ium-1-olatePyridine, 3-chloro-5-methyl-, 1-oxide3-chloro-5-methyl-1-oxidopyridin-1-ium3-Chloro-5-methylpyridine 1-oxideSCHEMBL7908598SCHEMBL27997117G31013EN300-6743442
Database identifiers
- CAS
97944-33-7- PubChem CID
- 22012161
- DTXSID
DTXSID101287064
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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