Base information
| Cat. No. | |
| CAS No. | 1189169-37-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5BrN2O |
| Molecular Weight | 201.021 |
| Exact Mass | 199.959 |
| XLogP3 | 1.4417 |
| Mr | 39.9265 |
| PSA | 42.85 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1ncc(cn1)Br |
