Organofluorine / Alfa Chemistry
2-(2-Benzothiazolylsulfonyl)-2-fluoro-1-(4-methoxyphenyl)-1-propanone

2-(2-Benzothiazolylsulfonyl)-2-fluoro-1-(4-methoxyphenyl)-1-propanone

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2-(2-Benzothiazolylsulfonyl)-2-fluoro-1-(4-methoxyphenyl)-1-propanone
Catalog OFC1516973297
CAS 1516973-29-7
Category Other Fluorinated Group Introducing Agents
Synonyms 1-Propanone, 2-(2-benzothiazolylsulfonyl)-2-fluoro-1-(4-methoxyphenyl)- (ACI)
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C17H14FNO4S2/c1-17(18,15(20)11-7-9-12(23-2)10-8-11)25(21,22)16-19-13-5-3-4-6-14(13)24-16/h3-10H,1-2H3
InChI Key UYSMOVFOAULPIS-UHFFFAOYSA-N
Canonical SMILES COc1ccc(C(=O)C(C)(F)S(=O)(=O)c2nc3ccccc3s2)cc1
Molecular Formula C17H14FNO4S2
Molecular Weight 379.434
Melting Point 106-108 °C
Boiling Point 568.4 °C
Density 1.405 g/cm3
Appearance White solid
Exact Mass 379.0348

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