N-(1-hydroxybutan-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(1-hydroxybutan-2-yl)-3-nitrobenzamide
N-(1-hydroxybutan-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y031-7699 |
| Compound Name: | N-(1-hydroxybutan-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 238.24 |
| Molecular Formula: | C11 H14 N2 O4 |
| Smiles: | CCC(CO)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5642 |
| logD: | 1.5642 |
| logSw: | -2.1769 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.329 |
| InChI Key: | YYGDFKGDBDHNSF-VIFPVBQESA-N |