Base information
| Cat. No. | |
| CAS No. | 1369804-85-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5BrN2O |
| Molecular Weight | 213.031 |
| Exact Mass | 211.959 |
| XLogP3 | 1.72438 |
| Mr | 43.144 |
| PSA | 45.91 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(Br)ncc1C#N |
