Base information
| Cat. No. | |
| CAS No. | 1356110-37-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5FN2O2 |
| Molecular Weight | 180.136 |
| Exact Mass | 180.034 |
| XLogP3 | 0.87898 |
| Mr | 40.1895 |
| PSA | 62.98 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc(F)cnc1C#N |
