4-[5-[(E)-3-(2-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
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![4-[5-[(E)-3-(2-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/53da9146c13749448178df113a32745c.png "4-[5-[(E)-3-(2-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid")
4-[5-[(E)-3-(2-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
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CAS No:
359776-56-0
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Formula:
C21H13BrN2O4
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Chemical Name:
4-[5-[(E)-3-(2-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
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Synonyms:
ZINC3254368;AKOS001059289;4-[5-[(E)-3-(2-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid;359776-56-0
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CAS No:
4-[5-[(E)-3-(2-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Basic Attributes
437.2 g/mol
436.00587 g/mol
Computed Properties
Molecular Weight:437.2
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:436.00587
Monoisotopic Mass:436.00587
Topological Polar Surface Area:103
Heavy Atom Count:28
Complexity:663
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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