Base information
| Cat. No. | |
| CAS No. | 1000340-73-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7BrN2O |
| Molecular Weight | 239.069 |
| Exact Mass | 237.974 |
| XLogP3 | 2.4463 |
| Mr | 54.1472 |
| PSA | 45.75 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1n[nH]c2c1ccc(c2C)Br |
