Base information
| Cat. No. | |
| CAS No. | 173999-48-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9BrN2O |
| Molecular Weight | 229.074 |
| Exact Mass | 227.99 |
| XLogP3 | 1.9847 |
| Mr | 49.7402 |
| PSA | 41.99 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCNC(=O)c1cncc(c1)Br |
