dimethyl 5-(2-chloro-4-nitrobenzamido)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-(2-chloro-4-nitrobenzamido)benzene-1,3-dicarboxylate
dimethyl 5-(2-chloro-4-nitrobenzamido)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | Y031-8221 |
| Compound Name: | dimethyl 5-(2-chloro-4-nitrobenzamido)benzene-1,3-dicarboxylate |
| Molecular Weight: | 392.75 |
| Molecular Formula: | C17 H13 Cl N2 O7 |
| Smiles: | COC(c1cc(cc(c1)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9857 |
| logD: | 3.9737 |
| logSw: | -4.648 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.059 |
| InChI Key: | PUAXFWOIHMENCO-UHFFFAOYSA-N |