Base information
| Cat. No. | |
| CAS No. | 5093-70-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8BrN |
| Molecular Weight | 186.049 |
| Exact Mass | 184.984 |
| XLogP3 | 2.4609 |
| Mr | 41.869 |
| PSA | 12.89 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cc(C)nc(c1)C |
