Base information
| Cat. No. | |
| CAS No. | 439280-18-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6FNO |
| Molecular Weight | 151.138 |
| Exact Mass | 151.043 |
| XLogP3 | 1.70598 |
| Mr | 37.607 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C#N)cc(c1)F |
