Base information
| Cat. No. | |
| CAS No. | 552333-33-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H5BrO3 |
| Molecular Weight | 241.038 |
| Exact Mass | 239.942 |
| XLogP3 | 1.6886 |
| Mr | 48.4735 |
| PSA | 43.37 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1OC(=O)c2c(C1)ccc(c2)Br |
