5-bromo-2-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]furan-2-yl]benzoic acid
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![5-bromo-2-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]furan-2-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0882330a21214ccf86ccf2e89ea89ce8.png "5-bromo-2-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]furan-2-yl]benzoic acid")
5-bromo-2-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]furan-2-yl]benzoic acid
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CAS No:
700358-27-6
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Formula:
C19H11BrN2O5
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Chemical Name:
5-bromo-2-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]furan-2-yl]benzoic acid
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Synonyms:
C19H11BrN2O5;STL234387;ZINC12412620;AKOS000112680;AKOS005153585;AKOS005153735;ST042024;5-bromo-2-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxo(3-pyridylidene))methyl](2-fury l)}benzoic acid;5-bromo-2-{5-[(Z)-(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid;700358-27-6
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CAS No:
5-bromo-2-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]furan-2-yl]benzoic acid Basic Attributes
427.2 g/mol
425.98513 g/mol
Computed Properties
Molecular Weight:427.2
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:425.98513
Monoisotopic Mass:425.98513
Topological Polar Surface Area:120
Heavy Atom Count:27
Complexity:793
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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