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

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

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2-(2-Benzothiazolylsulfonyl)-2-fluoro-1-(4-methoxyphenyl)-2-phenylethanone
Catalog OFC1516973286
CAS 1516973-28-6
Category Other Fluorinated Group Introducing Agents
Synonyms Ethanone, 2-(2-benzothiazolylsulfonyl)-2-fluoro-1-(4-methoxyphenyl)-2-phenyl- (ACI)
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C22H16FNO4S2/c1-28-17-13-11-15(12-14-17)20(25)22(23,16-7-3-2-4-8-16)30(26,27)21-24-18-9-5-6-10-19(18)29-21/h2-14H,1H3
InChI Key LZGBQFWMIBQHAU-UHFFFAOYSA-N
Canonical SMILES COc1ccc(C(=O)C(F)(c2ccccc2)S(=O)(=O)c2nc3ccccc3s2)cc1
Molecular Formula C22H16FNO4S2
Molecular Weight 441.505
Melting Point 128-130 °C
Boiling Point 653.1 °C
Density 1.401 g/cm3
Appearance White solid
Exact Mass 441.0505

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