Base information
| Cat. No. | |
| CAS No. | 773131-93-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6F3NO2 |
| Molecular Weight | 217.145 |
| Exact Mass | 217.035 |
| XLogP3 | 2.1982 |
| Mr | 45.9088 |
| PSA | 50.19 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C=Cc1ccc(nc1)C(F)(F)F |
