Base information
| Cat. No. | |
| CAS No. | 35351-45-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H4BrNO |
| Molecular Weight | 222.038 |
| Exact Mass | 220.948 |
| XLogP3 | 3.06698 |
| Mr | 48.629 |
| PSA | 36.93 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc2c(o1)ccc(c2)Br |
