Base information
| Cat. No. | |
| CAS No. | 68119-31-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H5F2NO2 |
| Molecular Weight | 197.138 |
| Exact Mass | 197.029 |
| XLogP3 | 2.07418 |
| Mr | 42.167 |
| PSA | 42.25 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CCc1ccc2c(c1)OC(O2)(F)F |
