4-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzoic acid
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![4-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0251b796a7734909aeaeee2a802f10e4.png "4-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzoic acid")
4-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzoic acid
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CAS No:
65439-50-1
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Formula:
C16H5F17O3
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Chemical Name:
4-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzoic acid
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Synonyms:
4-{[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy}benzoic acid;SCHEMBL6825123;DTXSID50896415;STK332205;AKOS001026823;ZINC100098469;MCULE-1480902368;4-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzoic acid;65439-50-1;4-([3,4,4,4-Tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]oxy)benzoic acid #;4-[2-(Heptafluoroisopropyl)-1,3-bis(trifluoromethyl)-3,4,4,4-tetrafluoro-1-butenyloxy]benzoic acid;Benzoic acid, 4-[3,4,4,4-tetrafluoro-2-heptafluoroisopropyl-1,3-di(trifluoromethyl)-1-butenyl]-
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CAS No:
4-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzoic acid Basic Attributes
568.18 g/mol
567.9967228 g/mol
4-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzoic acid Use and Manufacturing
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
Computed Properties
Molecular Weight:568.18
XLogP3:7.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:5
Exact Mass:567.9967228
Monoisotopic Mass:567.9967228
Topological Polar Surface Area:46.5
Heavy Atom Count:36
Complexity:766
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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