4-chloro-N-(cyanomethyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-(cyanomethyl)-3-nitrobenzamide
4-chloro-N-(cyanomethyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y031-8291 |
| Compound Name: | 4-chloro-N-(cyanomethyl)-3-nitrobenzamide |
| Molecular Weight: | 239.61 |
| Molecular Formula: | C9 H6 Cl N3 O3 |
| Smiles: | C(C#N)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1757 |
| logD: | 1.1757 |
| logSw: | -2.7785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.337 |
| InChI Key: | CELDIKWDJUOOMM-UHFFFAOYSA-N |