Base information
| Cat. No. | |
| CAS No. | 1119899-50-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BNO2S |
| Molecular Weight | 166.993 |
| Exact Mass | 167.021 |
| XLogP3 | -0.39202 |
| Mr | 43.8256 |
| PSA | 92.49 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1sc(cc1C)B(O)O |
