Base information
| Cat. No. | |
| CAS No. | 539855-70-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8F3NO2 |
| Molecular Weight | 219.161 |
| Exact Mass | 219.051 |
| XLogP3 | 2.1176 |
| Mr | 45.5908 |
| PSA | 50.19 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCc1ccc(nc1)C(F)(F)F |
