Base information
| Cat. No. | |
| CAS No. | 1420830-61-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7BF3NO3 |
| Molecular Weight | 220.942 |
| Exact Mass | 221.047 |
| XLogP3 | -0.2112 |
| Mr | 45.5566 |
| PSA | 62.58 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ncc(cc1C(F)(F)F)B(O)O |
