3-(4-bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
Chemical Structure Depiction of
3-(4-bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
3-(4-bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
Compound characteristics
| Compound ID: | 8001-7743 |
| Compound Name: | 3-(4-bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate |
| Molecular Weight: | 242.03 |
| Molecular Formula: | C7 H4 Br N3 O2 |
| Smiles: | c1cc(ccc1[n+]1nc([O-])on1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.5081 |
| logD: | 1.5081 |
| logSw: | -1.5623 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.447 |
| InChI Key: | HNKGNCIIXYRYKJ-UHFFFAOYSA-N |