Base information
| Cat. No. | |
| CAS No. | 1261653-03-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6F3NO2 |
| Molecular Weight | 217.145 |
| Exact Mass | 217.035 |
| XLogP3 | 2.46548 |
| Mr | 44.332 |
| PSA | 42.25 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1OC(F)(F)F)C#N |
