Base information
| Cat. No. | |
| CAS No. | 1212021-54-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5BN2O2 |
| Molecular Weight | 171.948 |
| Exact Mass | 172.044 |
| XLogP3 | -0.89024 |
| Mr | 45.6976 |
| PSA | 88.04 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(C#N)cc(c1)B(O)O |
