Base information
| Cat. No. | |
| CAS No. | 1254319-55-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7BrN2O |
| Molecular Weight | 227.058 |
| Exact Mass | 225.974 |
| XLogP3 | 1.3676 |
| Mr | 51.7945 |
| PSA | 33.2 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | CN1Cc2c(C1=O)ncc(c2)Br |
