Base information
| Cat. No. | |
| CAS No. | 33551-92-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H9Br4NaO5S |
| Molecular Weight | 691.943 |
| Exact Mass | 687.68 |
| XLogP3 | 6.8443 |
| Mr | 123.363 |
| PSA | 102.88 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C1C(=C/C(=C(\c2ccccc2S(=O)(=O)[O-])/c2cc(Br)c(c(c2)Br)O)/C=C1Br)Br.[Na+] |
