5-bromo-2-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid
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![5-bromo-2-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/af94a789bc3b41b0aa37a9681fa49dcd.png "5-bromo-2-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid")
5-bromo-2-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid
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CAS No:
685134-71-8
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Formula:
C20H11BrO4S
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Chemical Name:
5-bromo-2-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid
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Synonyms:
ZINC2213694;STL240935;AKOS001693727;(Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid;5-bromo-2-{5-[(Z)-(3-oxo-1-benzothien-2(3H)-ylidene)methyl]-2-furyl}benzoic acid;5-bromo-2-{5-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid;685134-71-8
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CAS No:
5-bromo-2-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid Basic Attributes
427.3 g/mol
425.95614 g/mol
Computed Properties
Molecular Weight:427.3
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:425.95614
Monoisotopic Mass:425.95614
Topological Polar Surface Area:92.8
Heavy Atom Count:26
Complexity:607
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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