3-(4-Chlorophenyl)sydnone
3-(4-chlorophenyl)oxadiazol-3-ium-5-olate
Also Known As: 3-(4-Chlorophenyl)sydnone|3-(p-Chlorophenyl)sydnone|Sydnone, 3-(4-chlorophenyl)-|Sydnone, 3-(p-chlorophenyl)-|3-(4-chlorophenyl)oxadiazol-3-ium-5-olate|3-(4-Chlorophenyl)-1,2,3-oxadiazol-3-ium-5-olate|3-(4-chlorophenyl)-1,2,3-oxadiazol-5-ol|AE-842/32998030|3-(4-Chlorophenyl)-1,2,3-oxadiazole-3-ium-5-olate|3-(4-Chlorophenyl)-5-oxylato-1,2,3-oxadiazole-3-ium|5-Oxylato-3-(p-chlorophenyl)-1,2,3-oxadiazole-3-ium|3-(4-chlorophenyl)-1,2,3lambda5-oxadiazol-3-ylium-5-olate|3-(4-chlorophenyl)-1-oxa-2-aza-3-azoniacyclopenta-2,4-dien-5-olate
| Molecular Formula | C8H5ClN2O2 |
|---|---|
| Molecular Weight | 196.00395 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.00395 |
| Monoisotopic Mass | 196.00395 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 829-31-2 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+]2=NOC(=C2)[O-])Cl |
| InChIKey | VUXSBVYENPHXGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Chlorophenyl)sydnone (CAS 829-31-2), with molecular formula C8H5ClN2O2 and molecular weight 196.00395 g/mol. IUPAC: 3-(4-chlorophenyl)oxadiazol-3-ium-5-olate.