4-[Methyl[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]butyl 2-propenoate
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![4-[Methyl[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]butyl 2-propenoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2c3178bfc5a14163be176a76631567ee.png "4-[Methyl[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]butyl 2-propenoate")
4-[Methyl[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]butyl 2-propenoate
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CAS No:
68227-98-5
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Formula:
C14H14F13NO4S
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Chemical Name:
4-[Methyl[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]butyl 2-propenoate
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Synonyms:
2-Propenoic acid,4-[methyl[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]butyl ester;2-Propenoic acid,4-[methyl[(tridecafluorohexyl)sulfonyl]amino]butyl ester;4-[Methyl[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]butyl 2-propenoate
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CAS No:
4-[Methyl[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]butyl 2-propenoate Basic Attributes
539.31 g/mol
539.31
269-394-1
DTXSID8071302
4-[Methyl[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]butyl 2-propenoate Use and Manufacturing
2-Propenoic acid, 4-[methyl[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]butyl ester: INACTIVE|S - indicates a substance that is identified in a final Significant New Use Rule.
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
Computed Properties
Molecular Weight:539.31
XLogP3:5.3
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:13
Exact Mass:539.0435952
Monoisotopic Mass:539.0435952
Topological Polar Surface Area:72.1
Heavy Atom Count:33
Complexity:818
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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