2-[Fluoro-[1-(4-methoxyphenyl)triazol-4-yl]methyl]sulfonyl-1,3-benzothiazole

• Catalog: OFC1293294651
• CAS: 1293294-65-1
• Category: Other Fluorinated Group Introducing Agents
• Synonyms: Benzothiazole, 2-[[fluoro[1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methyl]sulfonyl]- (ACI); 2-[[Fluoro[1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methyl]sulfonyl]benzothiazole (ACI)

• InChI: InChI=1S/C17H13FN4O3S2/c1-25-12-8-6-11(7-9-12)22-10-14(20-21-22)16(18)27(23,24)17-19-13-4-2-3-5-15(13)26-17/h2-10,16H,1H3
• InChI Key: WXLBCVVHEOWVHW-UHFFFAOYSA-N
• Canonical SMILES: COc1ccc(-n2cc(C(F)S(=O)(=O)c3nc4ccccc4s3)nn2)cc1

• Molecular Formula: C17H13FN4O3S2
• Molecular Weight: 404.448
• Boiling Point: 629.9 °C
• Density: 1.55 g/cm3
• Appearance: White solid

• Exact Mass: 404.0413