Base information
| Cat. No. | |
| CAS No. | 337536-01-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7BrN2O |
| Molecular Weight | 215.047 |
| Exact Mass | 213.974 |
| XLogP3 | 1.5946 |
| Mr | 44.9332 |
| PSA | 41.99 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CNC(=O)c1ccnc(c1)Br |
