Base information
| Cat. No. | |
| CAS No. | 18861-58-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H10BrNO2 |
| Molecular Weight | 280.117 |
| Exact Mass | 278.989 |
| XLogP3 | 2.91918 |
| Mr | 64.495 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C(=Cc1ccc(cc1)Br)C#N |
