Base information
| Cat. No. | |
| CAS No. | 78842-74-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H9BrN2O2 |
| Molecular Weight | 281.105 |
| Exact Mass | 279.985 |
| XLogP3 | 2.6258 |
| Mr | 63.0032 |
| PSA | 54.98 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc([nH]n1)c1ccc(cc1)Br |
