Base information
| Cat. No. | |
| CAS No. | 171364-82-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16BNO2 |
| Molecular Weight | 229.083 |
| Exact Mass | 229.127 |
| XLogP3 | 1.85748 |
| Mr | 67.633 |
| PSA | 42.25 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 34 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C |
