Base information
| Cat. No. | |
| CAS No. | 15813-08-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H5BrN2 |
| Molecular Weight | 161 |
| Exact Mass | 159.964 |
| XLogP3 | 1.4806 |
| Mr | 31.2537 |
| PSA | 28.68 |
| Sequence | - |
| Atom number | 12 |
| Bond number | 12 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1nc[nH]c1Br |
