Base information
| Cat. No. | |
| CAS No. | 176718-54-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7BrN2O |
| Molecular Weight | 227.058 |
| Exact Mass | 225.974 |
| XLogP3 | 2.49278 |
| Mr | 49.7534 |
| PSA | 59.04 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(Br)cc(c1N)C#N |
