Base information
| Cat. No. | |
| CAS No. | 231947-22-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9F3N2O |
| Molecular Weight | 254.208 |
| Exact Mass | 254.067 |
| XLogP3 | 3.229 |
| Mr | 59.1555 |
| PSA | 34.89 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(=O)n1nc(cc1c1ccccc1)C(F)(F)F |
