HuagongsheHuagongshe Chemistry Print Report · For research reference only
8-Chloroisoquinoline hydrochloride
Identifiers & Physical Properties
| CAS No. | 61563-32-4 |
|---|---|
| Molecular formula | C9H7Cl2N |
| Average molar mass | 200.06 g/mol |
| Monoisotopic mass | 198.9955546 g/mol |
| SMILES | Cl.Clc1cccc2ccncc12 |
| InChIKey | PKNPPVOQVYXIOP-UHFFFAOYSA-N |
| PubChem CID | 12371748 |
| DTXSID | DTXSID50494879 |
Chemical & Physical Properties
| Topological polar surface area | 12.9 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 138 |