4-chloro-2-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide
Chemical Structure Depiction of
4-chloro-2-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide
4-chloro-2-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide
Compound characteristics
| Compound ID: | Y031-9531 |
| Compound Name: | 4-chloro-2-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide |
| Molecular Weight: | 267.63 |
| Molecular Formula: | C9 H6 Cl N5 O3 |
| Smiles: | c1cc(C(Nn2cnnc2)=O)c(cc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.4465 |
| logD: | 0.4464 |
| logSw: | -2.7815 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.273 |
| InChI Key: | XVKSJPUQEHIEFM-UHFFFAOYSA-N |