Base information
| Cat. No. | |
| CAS No. | 21667-61-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6FNO |
| Molecular Weight | 163.148 |
| Exact Mass | 163.043 |
| XLogP3 | 1.92208 |
| Mr | 41.1505 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CCC(=O)c1cccc(c1)F |
