Base information
| Cat. No. | |
| CAS No. | 1417200-10-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H16BNO3 |
| Molecular Weight | 257.093 |
| Exact Mass | 257.122 |
| XLogP3 | 1.66998 |
| Mr | 73.0205 |
| PSA | 59.32 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 36 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cc(C#N)cc(c1)B1OC(C(O1)(C)C)(C)C |