HuagongsheHuagongshe Chemistry Print Report · For research reference only
8-Nitro-7-trifluoromethylisoquinoline
Identifiers & Physical Properties
| Molecular formula | C10H5F3N2O2 |
|---|---|
| Average molar mass | 242.15 g/mol |
| Monoisotopic mass | 242.03031189 g/mol |
| SMILES | O=[N+]([O-])c1c(C(F)(F)F)ccc2ccncc12 |
| InChIKey | PQNKHOMLLODEBO-UHFFFAOYSA-N |
| PubChem CID | 21393813 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 58.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 0 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 303 |