Base information
| Cat. No. | |
| CAS No. | 118761-98-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12BrN |
| Molecular Weight | 214.102 |
| Exact Mass | 213.015 |
| XLogP3 | 3.1204 |
| Mr | 51.5237 |
| PSA | 12.03 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CNC(c1cccc(c1)Br)C |
