Base information
| Cat. No. | |
| CAS No. | 142404-82-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9BrN2O |
| Molecular Weight | 229.074 |
| Exact Mass | 227.99 |
| XLogP3 | 2.1839 |
| Mr | 51.2157 |
| PSA | 41.99 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(NC(=O)C)ncc1Br |
