Organofluorine / Alfa Chemistry
2-(2-Benzothiazolylsulfonyl)-2-fluoro-1-(4-methylphenyl)-1-butanone

2-(2-Benzothiazolylsulfonyl)-2-fluoro-1-(4-methylphenyl)-1-butanone

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2-(2-Benzothiazolylsulfonyl)-2-fluoro-1-(4-methylphenyl)-1-butanone
Catalog OFC1516973264
CAS 1516973-26-4
Category Other Fluorinated Group Introducing Agents
Synonyms 1-Butanone, 2-(2-benzothiazolylsulfonyl)-2-fluoro-1-(4-methylphenyl)- (ACI)
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C18H16FNO3S2/c1-3-18(19,16(21)13-10-8-12(2)9-11-13)25(22,23)17-20-14-6-4-5-7-15(14)24-17/h4-11H,3H2,1-2H3
InChI Key ZXCAHQNTUCRZSG-UHFFFAOYSA-N
Canonical SMILES CCC(F)(C(=O)c1ccc(C)cc1)S(=O)(=O)c1nc2ccccc2s1
Molecular Formula C18H16FNO3S2
Molecular Weight 377.462
Melting Point 104-106 °C
Boiling Point 543.0 °C
Density 1.354 g/cm3
Appearance White solid
Exact Mass 377.0556

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