Base information
| Cat. No. | |
| CAS No. | 1417985-25-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BN3O2 |
| Molecular Weight | 162.942 |
| Exact Mass | 163.055 |
| XLogP3 | -1.3623 |
| Mr | 43.7143 |
| PSA | 82.03 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OB(c1cnc2c(c1)cn[nH]2)O |
