Base information
| Cat. No. | |
| CAS No. | 1366131-38-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9BrN2O |
| Molecular Weight | 217.063 |
| Exact Mass | 215.99 |
| XLogP3 | 2.3245 |
| Mr | 47.7994 |
| PSA | 48.14 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ncc(c(c1N)C)Br |
