Base information
| Cat. No. | |
| CAS No. | 1000341-75-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5BrN2O |
| Molecular Weight | 225.042 |
| Exact Mass | 223.959 |
| XLogP3 | 2.1379 |
| Mr | 49.1812 |
| PSA | 45.75 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1c[nH]c2c1cnc(c2)Br |
