HuagongsheHuagongshe Chemistry Print Report · For research reference only
ethyl 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylate
Ethyl 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylate · 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester
Identifiers & Physical Properties
| CAS No. | 23314-05-8 |
|---|---|
| Molecular formula | C9H12N2O4 |
| Average molar mass | 212.2 g/mol |
| Monoisotopic mass | 212.07970687 g/mol |
| SMILES | CCOC(=O)c1c(C)[nH]c([N+](=O)[O-])c1C |
| InChIKey | SEWAGIRNWAZCNM-UHFFFAOYSA-N |
| PubChem CID | 141018 |
| DTXSID | DTXSID50177872 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 87.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 263 |