Base information
| Cat. No. | |
| CAS No. | 12222-79-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H9BrN2O4 |
| Molecular Weight | 349.136 |
| Exact Mass | 347.975 |
| XLogP3 | 2.9625 |
| Mr | 80.3038 |
| PSA | 126.64 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 32 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Nc1c(Br)cc(c2c1C(=O)c1c(N)ccc(c1C2=O)O)O |
