Base information
| Cat. No. | |
| CAS No. | 569370-38-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6F3NO |
| Molecular Weight | 201.145 |
| Exact Mass | 201.04 |
| XLogP3 | 2.06938 |
| Mr | 42.2868 |
| PSA | 44.02 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCc1cc(C#N)cc(c1)C(F)(F)F |
