Base information
| Cat. No. | |
| CAS No. | 152213-61-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H7BrN2 |
| Molecular Weight | 235.08 |
| Exact Mass | 233.979 |
| XLogP3 | 2.99648 |
| Mr | 55.5207 |
| PSA | 39.58 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CCc1c[nH]c2c1ccc(c2)Br |
