Base information
| Cat. No. | |
| CAS No. | 1204580-94-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BF3O3 |
| Molecular Weight | 217.938 |
| Exact Mass | 218.036 |
| XLogP3 | 0.1977 |
| Mr | 46.6571 |
| PSA | 57.53 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=Cc1ccc(cc1B(O)O)C(F)(F)F |
