2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid
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![2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b0f8f0503b424faeb47150825bac6482.png "2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid")
2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid
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CAS No:
380430-75-1
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Formula:
C11H8F3NO3
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Chemical Name:
2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid
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Synonyms:
2-[(4,4,4-trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid;380430-75-1;2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid;ZINC3223627;AKOS000114585;NE27069;EN300-00165;2-{[(1E)-4,4,4-TRIFLUORO-3-OXOBUT-1-EN-1-YL]AMINO}BENZOIC ACID
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CAS No:
2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid Basic Attributes
259.18 g/mol
259.04562760 g/mol
Computed Properties
Molecular Weight:259.18
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:259.04562760
Monoisotopic Mass:259.04562760
Topological Polar Surface Area:66.4
Heavy Atom Count:18
Complexity:352
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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