N-tert-butyl-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-tert-butyl-2-methyl-3-nitrobenzamide
N-tert-butyl-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y031-8594 |
| Compound Name: | N-tert-butyl-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 236.27 |
| Molecular Formula: | C12 H16 N2 O3 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7004 |
| logD: | 2.7004 |
| logSw: | -3.5238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.828 |
| InChI Key: | PVVGNDMFXOFABT-UHFFFAOYSA-N |