Base information
| Cat. No. | |
| CAS No. | 1454852-95-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BrN3 |
| Molecular Weight | 200.036 |
| Exact Mass | 198.975 |
| XLogP3 | 1.36268 |
| Mr | 40.87 |
| PSA | 41.61 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1n(C)nc(c1Br)C |
