Base information
| Cat. No. | |
| CAS No. | 111454-68-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7BrN2 |
| Molecular Weight | 187.037 |
| Exact Mass | 185.979 |
| XLogP3 | 1.8559 |
| Mr | 39.664 |
| PSA | 25.78 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cnc(c(n1)C)C |
