5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole
Chemical Structure Depiction of
5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole
5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole
Compound characteristics
| Compound ID: | 1255-0024 |
| Compound Name: | 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole |
| Molecular Weight: | 246.27 |
| Molecular Formula: | C12 H14 N4 O2 |
| Smiles: | CC(C)(C)c1cnnn1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0805 |
| logD: | 3.0803 |
| logSw: | -3.1828 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.876 |
| InChI Key: | FRAYZPDBVGAIJE-UHFFFAOYSA-N |