benzenepropanoicacid,α-[[(6-amino-3,5-difluoro-2-pyridinyl)amino]methylene]-2,4,5-trifluoro-β-oxo-,ethylester
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benzenepropanoicacid,α-[[(6-amino-3,5-difluoro-2-pyridinyl)amino]methylene]-2,4,5-trifluoro-β-oxo-,ethylester
structure -
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CAS No:
875712-88-2
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Formula:
C17H12F5N3O3
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Chemical Name:
benzenepropanoicacid,α-[[(6-amino-3,5-difluoro-2-pyridinyl)amino]methylene]-2,4,5-trifluoro-β-oxo-,ethylester
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Synonyms:
benzenepropanoic acid, α-[[(6-amino-3,5-difluoro-2-pyridinyl)amino]methylene]-2,4,5-trifluoro-β-oxo-, ethyl ester;Ethyl 3-((6-amino-3,5-difluoropyridin-2-yl)amino)-2-(2,4,5-trifluorobenzoyl)acrylate;Benzenepropanoic acid, alpha-[[(6-amino-3,5-difluoro-2-pyridinyl)amino]methylene]-2,4,5-trifluoro-beta-oxo-, ethyl ester;benzenepropanoic acid, α-[[(6-amino-3,5-difluoro-2-pyridinyl)amino]methylene]-2,4,5-trifluoro-β-oxo-, ethyl ester;(Z)-Ethyl 3-((6-amino-3,5-difluoropyridin-2-yl)amino)-2-(2,4,5-trifluorobenzoyl)acrylate
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CAS No:
benzenepropanoicacid,α-[[(6-amino-3,5-difluoro-2-pyridinyl)amino]methylene]-2,4,5-trifluoro-β-oxo-,ethylester Basic Attributes
401.29
401.07988206
Characteristics
94.31000
3.75530
1.518±0.06 g/cm3
157-160 °C(Solv: water (7732-18-5))
484.5±45.0 °C(Predicted)
1.31±0.10
Computed Properties
Molecular Weight:401.29
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:401.07988206
Monoisotopic Mass:401.07988206
Topological Polar Surface Area:97.8
Heavy Atom Count:28
Complexity:621
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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