HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-7-iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine
![2-Chloro-7-iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine molecular structure](/img/chemical/59463524.png)
Identifiers & Physical Properties
| CAS No. | 889447-21-6 |
|---|---|
| Molecular formula | C13H9ClIN3O2S |
| Average molar mass | 433.65 g/mol |
| Monoisotopic mass | 432.91487321 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)n2cc(I)c3nc(Cl)cnc32)cc1 |
| InChIKey | UJULUXSKCYVDPH-UHFFFAOYSA-N |
| PubChem CID | 59463524 |
| DTXSID | DTXSID701155502 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 73.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 478 |