Base information
| Cat. No. | |
| CAS No. | 75884-70-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5BrN2O |
| Molecular Weight | 225.042 |
| Exact Mass | 223.959 |
| XLogP3 | 1.6856 |
| Mr | 50.0637 |
| PSA | 45.75 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc2c(c1)cn[nH]c2=O |
