Base information
| Cat. No. | |
| CAS No. | 41668-13-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H4BrNO3 |
| Molecular Weight | 218.005 |
| Exact Mass | 216.937 |
| XLogP3 | 0.8356 |
| Mr | 41.722 |
| PSA | 70.16 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1c[nH]c(=O)c(c1)Br |
