Base information
| Cat. No. | |
| CAS No. | 115453-82-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9F3O3 |
| Molecular Weight | 258.193 |
| Exact Mass | 258.05 |
| XLogP3 | 3.2105 |
| Mr | 58.785 |
| PSA | 39.44 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOc1ccc2c(c1)oc(=O)cc2C(F)(F)F |
