2-chloro-N-(cyanomethyl)-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-(cyanomethyl)-4-nitrobenzamide
2-chloro-N-(cyanomethyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y031-8234 |
| Compound Name: | 2-chloro-N-(cyanomethyl)-4-nitrobenzamide |
| Molecular Weight: | 239.61 |
| Molecular Formula: | C9 H6 Cl N3 O3 |
| Smiles: | C(C#N)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7344 |
| logD: | 1.7344 |
| logSw: | -3.1487 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.638 |
| InChI Key: | NEPGVUJJTNJLJK-UHFFFAOYSA-N |