4-[(3,3,4,4,5,5,5-heptafluoro-1-nitropentan-2-yl)amino]benzoic acid
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![4-[(3,3,4,4,5,5,5-heptafluoro-1-nitropentan-2-yl)amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dfe499bf12c545e1b5926f8597acbf5c.png "4-[(3,3,4,4,5,5,5-heptafluoro-1-nitropentan-2-yl)amino]benzoic acid")
4-[(3,3,4,4,5,5,5-heptafluoro-1-nitropentan-2-yl)amino]benzoic acid
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CAS No:
432-78-0
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Formula:
C12H9F7N2O4
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Chemical Name:
4-[(3,3,4,4,5,5,5-heptafluoro-1-nitropentan-2-yl)amino]benzoic acid
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Synonyms:
NSC146421;432-78-0;NSC-146421
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CAS No:
4-[(3,3,4,4,5,5,5-heptafluoro-1-nitropentan-2-yl)amino]benzoic acid Basic Attributes
378.20 g/mol
378.04505391 g/mol
146421
Computed Properties
Molecular Weight:378.20
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:378.04505391
Monoisotopic Mass:378.04505391
Topological Polar Surface Area:95.2
Heavy Atom Count:25
Complexity:499
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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