Base information
| Cat. No. | |
| CAS No. | 124289-21-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrN |
| Molecular Weight | 196.044 |
| Exact Mass | 194.968 |
| XLogP3 | 2.62918 |
| Mr | 43.823 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(C)cc(c1)Br |
