Basic information
- CAS
37744-03-9- Standard SMILES
Nc1c[n+](CCc2ccc(O)cc2)no1.[Cl-]- InChIKey
IFWWPHOIVIPRKB-UHFFFAOYSA-N- Molecular formula
- C10H12ClN3O2
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0618043
Names & identifiers
- Preferred name
- 1,2,3-Oxadiazolium, 5-amino-3-(2-(4-hydroxyphenyl)ethyl)-, chloride
- IUPAC
- 4-[2-(5-aminooxadiazol-3-ium-3-yl)ethyl]phenol chloride
Names & synonyms
37744-03-91,2,3-Oxadiazolium, 5-amino-3-(2-(4-hydroxyphenyl)ethyl)-, chlorideRefChem:10519805-Amino-3-(4-hydroxyphenethyl)-1,2,3-oxadiazol-3-ium chlorideOF 30883-(2-(4-Hydroxyphenyl)ethyl)sydnone imine monohydrochlorideSydnone imine, 3-(2-(4-hydroxyphenyl)ethyl)-, monohydrochloride
Database identifiers
- CAS
37744-03-9- PubChem CID
- 216809
Properties
Computed structural properties
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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