HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate
Identifiers & Physical Properties
| CAS No. | 5430-79-5 |
|---|---|
| Molecular formula | C9H12INO2 |
| Average molar mass | 293.1 g/mol |
| Monoisotopic mass | 292.99128 g/mol |
| SMILES | CCOC(=O)c1c(C)[nH]c(I)c1C |
| InChIKey | JDALSIJMOYCBTO-UHFFFAOYSA-N |
| PubChem CID | 224708 |
| DTXSID | DTXSID60279619 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 42.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 198 |