HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Methyl-5-iodosaccharin
Identifiers & Physical Properties
| Molecular formula | C8H6INO3S |
|---|---|
| Average molar mass | 323.11 g/mol |
| SMILES | Cc1c(I)ccc2c1C(=O)NS2(=O)=O |
| InChIKey | WIDMPOXKKQTBLA-UHFFFAOYSA-N |
| PubChem CID | 15346293 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 71.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 361 |