Base information
| Cat. No. | |
| CAS No. | 1042141-37-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7BrN2O2 |
| Molecular Weight | 255.068 |
| Exact Mass | 253.969 |
| XLogP3 | 1.8834 |
| Mr | 54.1715 |
| PSA | 43.6 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc2n(c1)cc(n2)Br |
