Basic information
- CAS
17583-76-5- Standard SMILES
Nc1con[n+]1CCOc1ccccc1.[Cl-]- InChIKey
XMWADLOPEMJBTP-UHFFFAOYSA-M- Molecular formula
- C10H12ClN3O2
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0618043
Names & identifiers
- Preferred name
- 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride
- IUPAC
- 3-(2-phenoxyethyl)oxadiazol-3-ium-4-amine chloride
Names & synonyms
17583-76-5DTXSID009387134-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chlorideRefChem:1070254DTXCID9013672343-beta-Phenoxyethylsydnonimine hydrochlorideSydnone imine, 3-(2-phenoxyethyl)-, hydrochloride
Database identifiers
- CAS
17583-76-5- PubChem CID
- 205191
- DTXSID
DTXSID00938713
Properties
Computed structural properties
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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