Base information
| Cat. No. | |
| CAS No. | 635712-49-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9BrN2 |
| Molecular Weight | 225.085 |
| Exact Mass | 223.995 |
| XLogP3 | 2.8878 |
| Mr | 53.5667 |
| PSA | 28.68 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CCc1cc(Br)cc2c1[nH]nc2 |
