Base information
| Cat. No. | |
| CAS No. | 1133057-98-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H16BNO2 |
| Molecular Weight | 337.179 |
| Exact Mass | 337.127 |
| XLogP3 | 3.6167 |
| Mr | 108.113 |
| PSA | 45.39 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 46 |
| Ring number | 5 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OB(c1ccc2c(c1)c1ccccc1n2c1ccc2c(c1)cccc2)O |
