4-(4-methoxyphenyl)-5-nitro-2H-1,2,3-triazole
Chemical Structure Depiction of
4-(4-methoxyphenyl)-5-nitro-2H-1,2,3-triazole
4-(4-methoxyphenyl)-5-nitro-2H-1,2,3-triazole
Compound characteristics
| Compound ID: | 8020-8263 |
| Compound Name: | 4-(4-methoxyphenyl)-5-nitro-2H-1,2,3-triazole |
| Molecular Weight: | 220.18 |
| Molecular Formula: | C9 H8 N4 O3 |
| Smiles: | COc1ccc(cc1)c1c(n[nH]n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3239 |
| logD: | -1.2911 |
| logSw: | -1.9306 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.499 |
| InChI Key: | IMEFYZIIZKMOBY-UHFFFAOYSA-N |