HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-6-(4-isothiocyanatophenoxy)pyridine
Identifiers & Physical Properties
| CAS No. | 57191-38-5 |
|---|---|
| Molecular formula | C12H7ClN2OS |
| Average molar mass | 262.72 g/mol |
| Monoisotopic mass | 261.9967617 g/mol |
| SMILES | S=C=Nc1ccc(Oc2cccc(Cl)n2)cc1 |
| InChIKey | OCJJFADXDLSZLX-UHFFFAOYSA-N |
| PubChem CID | 21391418 |
| DTXSID | DTXSID30612837 |
Chemical & Physical Properties
| XLogP | 5.1 |
|---|---|
| Topological polar surface area | 66.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 288 |