5-bromo-3-nitro-1-(prop-2-yn-1-yl)-1H-1,2,4-triazole
Chemical Structure Depiction of
5-bromo-3-nitro-1-(prop-2-yn-1-yl)-1H-1,2,4-triazole
5-bromo-3-nitro-1-(prop-2-yn-1-yl)-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8020-3081 |
| Compound Name: | 5-bromo-3-nitro-1-(prop-2-yn-1-yl)-1H-1,2,4-triazole |
| Molecular Weight: | 231 |
| Molecular Formula: | C5 H3 Br N4 O2 |
| Smiles: | C#CCn1c(nc(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.0742 |
| logD: | 1.0742 |
| logSw: | -1.3307 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.183 |
| InChI Key: | YFBQHOWKMCZPHO-UHFFFAOYSA-N |