Base information
| Cat. No. | |
| CAS No. | 39186-58-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H14BrN |
| Molecular Weight | 300.193 |
| Exact Mass | 299.031 |
| XLogP3 | 4.28128 |
| Mr | 77.818 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | BrCCC(c1ccccc1)(c1ccccc1)C#N |
