Base information
| Cat. No. | |
| CAS No. | 53916-94-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12BrN |
| Molecular Weight | 202.092 |
| Exact Mass | 201.015 |
| XLogP3 | 2.8462 |
| Mr | 48.9614 |
| PSA | 26.02 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NCCc1ccccc1.Br |
