HuagongsheHuagongshe Chemistry Print Report · For research reference only
t-Amyl 2,5,6-trichloronicotinate
Identifiers & Physical Properties
| Molecular formula | C11H12Cl3NO2 |
|---|---|
| Average molar mass | 296.6 g/mol |
| Monoisotopic mass | 294.993362 g/mol |
| SMILES | CCC(C)(C)OC(=O)c1cc(Cl)c(Cl)nc1Cl |
| InChIKey | QSZQZAFPGFCJGG-UHFFFAOYSA-N |
| PubChem CID | 21836282 |
Chemical & Physical Properties
| XLogP | 4.8 |
|---|---|
| Topological polar surface area | 39.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 286 |