Base information
| Cat. No. | |
| CAS No. | 462-05-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BF3O |
| Molecular Weight | 161.917 |
| Exact Mass | 162.046 |
| XLogP3 | 2.272 |
| Mr | 37.543 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Oc1ccccc1.FB(F)F |
