Base information
| Cat. No. | |
| CAS No. | 1261815-64-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5BrClN |
| Molecular Weight | 230.489 |
| Exact Mass | 228.929 |
| XLogP3 | 3.16858 |
| Mr | 48.674 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Clc1cccc(c1Br)CC#N |
