CTK3J8826
6-(2-bromo-2-fluoroethenyl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Also Known As: (E)-5-(2-Bromo-2-fluorovinyl)-6-aza-2'-deoxy-uridine|1,2,4-Triazine-3,5(2H,4H)-dione,6-(2-bromo-2-fluoroethenyl)-2-(2-deoxy-b-D-erythro-pentofuranosyl)-, (E)- (9CI)
CAS: 100348-16-1
| Molecular Formula | C10H11BrFN3O5 |
|---|---|
| Molecular Weight | 350.9866 g/mol |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.9866 |
| Monoisotopic Mass | 350.9866 |
| Heavy Atoms | 20 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 100348-16-1 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C(=N2)C=C(F)Br)CO)O |
| InChIKey | PZHAXONLZUCDNN-SHYZEUOFSA-N |
Product Overview
CTK3J8826 (CAS 100348-16-1), with molecular formula C10H11BrFN3O5 and molecular weight 350.9866 g/mol. IUPAC: 6-(2-bromo-2-fluoroethenyl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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