1-tert-Butyl-5-(1-fluoro-2-phenylethylsulfonyl)-1H-tetrazole

• Catalog: OFC1236300494
• CAS: 1236300-49-4
• Category: Other Fluorinated Group Introducing Agents
• Synonyms: 1H-Tetrazole, 1-(1,1-dimethylethyl)-5-[(1-fluoro-2-phenylethyl)sulfonyl]- (ACI); 1-(1,1-Dimethylethyl)-5-[(1-fluoro-2-phenylethyl)sulfonyl]-1H-tetrazole (ACI)

• InChI: InChI=1S/C13H17FN4O2S/c1-13(2,3)18-12(15-16-17-18)21(19,20)11(14)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
• InChI Key: NLJPBLKGXTUIJX-UHFFFAOYSA-N
• Canonical SMILES: CC(C)(C)n1nnnc1S(=O)(=O)C(F)Cc1ccccc1

• Molecular Formula: C13H17FN4O2S
• Molecular Weight: 312.37
• Melting Point: 70-72 °C
• Boiling Point: 469.6 °C
• Density: 1.32 g/cm3
• Appearance: White solid

• Exact Mass: 312.1056