Organofluorine / Alfa Chemistry
1-(1,3-Benzothiazol-2-ylsulfonyl)-1-fluoropentan-2-one

1-(1,3-Benzothiazol-2-ylsulfonyl)-1-fluoropentan-2-one

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1-(1,3-Benzothiazol-2-ylsulfonyl)-1-fluoropentan-2-one
Catalog OFC1149578233
CAS 1149578-23-3
Category Other Fluorinated Group Introducing Agents
Synonyms 2-Pentanone, 1-(2-benzothiazolylsulfonyl)-1-fluoro- (ACI)
1-(2-Benzothiazolylsulfonyl)-1-fluoro-2-pentanone (ACI)
(1,3-Benzothiazol-2-ylsulfonyl)fluoromethyl n-propyl ketone
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C12H12FNO3S2/c1-2-5-9(15)11(13)19(16,17)12-14-8-6-3-4-7-10(8)18-12/h3-4,6-7,11H,2,5H2,1H3
InChI Key SJWFZJUSGVNGTP-UHFFFAOYSA-N
Canonical SMILES CCCC(=O)C(F)S(=O)(=O)c1nc2ccccc2s1
Molecular Formula C12H12FNO3S2
Molecular Weight 301.364
Boiling Point 439.0 °C
Density 1.388 g/cm3
Appearance White solid
Exact Mass 301.0243

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