HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(4-Chloro-benzyl)-1-(2-iodo-phenyl)-pyrrolidine-2,5-dione
3-(4-chlorobenzyl)-1-(2-iodophenyl)-2,5-pyrrolidinedione · 2,5-Pyrrolidinedione, 3-[(4-chlorophenyl)methyl]-1-(2-iodophenyl)-
Identifiers & Physical Properties
| CAS No. | 313958-67-7 |
|---|---|
| Molecular formula | C17H13ClINO2 |
| Average molar mass | 425.6 g/mol |
| SMILES | O=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1I |
| InChIKey | IKNJMRVYVUXVNO-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 37.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 436 |
| Boiling point | 562.4±30.0 °C(Predicted) |
| Density | 1.707±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | -1.36±0.40(Predicted) |