Base information
| Cat. No. | |
| CAS No. | 111770-86-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H4BrN |
| Molecular Weight | 182.017 |
| Exact Mass | 180.953 |
| XLogP3 | 1.8254 |
| Mr | 39.872 |
| PSA | 12.89 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C#Cc1ccc(cn1)Br |
