dimethyl 2-(1H-imidazol-1-yl)-5-nitrobenzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-(1H-imidazol-1-yl)-5-nitrobenzene-1,3-dicarboxylate
dimethyl 2-(1H-imidazol-1-yl)-5-nitrobenzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C790-0556 |
| Compound Name: | dimethyl 2-(1H-imidazol-1-yl)-5-nitrobenzene-1,3-dicarboxylate |
| Molecular Weight: | 305.24 |
| Molecular Formula: | C13 H11 N3 O6 |
| Smiles: | COC(c1cc(cc(C(=O)OC)c1n1ccnc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3068 |
| logD: | 1.3068 |
| logSw: | -1.6136 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.091 |
| InChI Key: | PHQPNNIRFGFKGH-UHFFFAOYSA-N |