4-[[2,2,3,3,4,4,4-Heptafluoro-1-(1-nitroethyl)butyl]amino]benzoic acid
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![4-[[2,2,3,3,4,4,4-Heptafluoro-1-(1-nitroethyl)butyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d96f7597c7e54d0eb8b7c916dcfede7b.png "4-[[2,2,3,3,4,4,4-Heptafluoro-1-(1-nitroethyl)butyl]amino]benzoic acid")
4-[[2,2,3,3,4,4,4-Heptafluoro-1-(1-nitroethyl)butyl]amino]benzoic acid
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CAS No:
564-96-5
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Formula:
C13H11F7N2O4
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Chemical Name:
4-[[2,2,3,3,4,4,4-Heptafluoro-1-(1-nitroethyl)butyl]amino]benzoic acid
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Synonyms:
Benzoic acid,4-[[2,2,3,3,4,4,4-heptafluoro-1-(1-nitroethyl)butyl]amino]-;Benzoic acid,p-[[2,2,3,3,4,4,4-heptafluoro-1-(1-nitroethyl)butyl]amino]-;4-[[2,2,3,3,4,4,4-Heptafluoro-1-(1-nitroethyl)butyl]amino]benzoic acid;NSC 146422
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CAS No:
4-[[2,2,3,3,4,4,4-Heptafluoro-1-(1-nitroethyl)butyl]amino]benzoic acid Basic Attributes
392.23 g/mol
392.23
146422
DTXSID50301796
Computed Properties
Molecular Weight:392.23
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:392.06070397
Monoisotopic Mass:392.06070397
Topological Polar Surface Area:95.2
Heavy Atom Count:26
Complexity:528
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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