Base information
| Cat. No. | |
| CAS No. | 119396-88-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8FNO2 |
| Molecular Weight | 181.164 |
| Exact Mass | 181.054 |
| XLogP3 | 1.71458 |
| Mr | 44.099 |
| PSA | 42.25 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C#N)c(cc1OC)F |
