Base information
| Cat. No. | |
| CAS No. | 1245708-13-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5BrN2O2 |
| Molecular Weight | 229.031 |
| Exact Mass | 227.953 |
| XLogP3 | 1.313 |
| Mr | 48.7557 |
| PSA | 51.22 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1COc2c(N1)ccc(n2)Br |
