N-(cyanomethyl)-2-nitrobenzamide
Chemical Structure Depiction of
N-(cyanomethyl)-2-nitrobenzamide
N-(cyanomethyl)-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y031-8096 |
| Compound Name: | N-(cyanomethyl)-2-nitrobenzamide |
| Molecular Weight: | 205.17 |
| Molecular Formula: | C9 H7 N3 O3 |
| Smiles: | C(C#N)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9472 |
| logD: | 0.9471 |
| logSw: | -2.3358 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.337 |
| InChI Key: | XBKGIGDKFSKMGH-UHFFFAOYSA-N |