4-chloro-3-nitro-N-(1H-1,2,4-triazol-3-yl)benzamide
Chemical Structure Depiction of
4-chloro-3-nitro-N-(1H-1,2,4-triazol-3-yl)benzamide
4-chloro-3-nitro-N-(1H-1,2,4-triazol-3-yl)benzamide
Compound characteristics
| Compound ID: | 1514-0421 |
| Compound Name: | 4-chloro-3-nitro-N-(1H-1,2,4-triazol-3-yl)benzamide |
| Molecular Weight: | 267.63 |
| Molecular Formula: | C9 H6 Cl N5 O3 |
| Smiles: | c1cc(c(cc1C(Nc1nc[nH]n1)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.9334 |
| logD: | -0.274 |
| logSw: | -2.6532 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.248 |
| InChI Key: | QUWNRNGWDDNUFU-UHFFFAOYSA-N |