methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate
methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 8006-2436 |
| Compound Name: | methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 274.27 |
| Molecular Formula: | C14 H14 N2 O4 |
| Smiles: | Cc1c(C(=O)OC)c(c2cccc(c2)[N+]([O-])=O)c(C)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.9716 |
| logD: | 2.9716 |
| logSw: | -3.362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.31 |
| InChI Key: | ZNMYJAWCHLEZMB-UHFFFAOYSA-N |