Base information
| Cat. No. | |
| CAS No. | 552331-16-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7BrN2 |
| Molecular Weight | 211.059 |
| Exact Mass | 209.979 |
| XLogP3 | 2.6338 |
| Mr | 48.7597 |
| PSA | 28.68 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc2c(c1)c(C)n[nH]2 |
