5-bromo-2-[5-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
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![5-bromo-2-[5-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1847407e18434bf1990dcc5a6f70a2f2.png "5-bromo-2-[5-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid")
5-bromo-2-[5-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
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CAS No:
799781-33-2
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Formula:
C16H11BrN2O4
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Chemical Name:
5-bromo-2-[5-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
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Synonyms:
ZINC5024455;STL241818;AKOS025280115;5-bromo-2-{5-[(1Z)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid;799781-33-2
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CAS No:
5-bromo-2-[5-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Basic Attributes
375.17 g/mol
373.99022 g/mol
Computed Properties
Molecular Weight:375.17
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:373.99022
Monoisotopic Mass:373.99022
Topological Polar Surface Area:103
Heavy Atom Count:23
Complexity:554
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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