Base information
| Cat. No. | |
| CAS No. | 116081-17-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5BrN2O |
| Molecular Weight | 213.031 |
| Exact Mass | 211.959 |
| XLogP3 | 2.2937 |
| Mr | 44.47 |
| PSA | 38.92 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1nc2c(o1)c(Br)cnc2 |
