5-[3-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-chlorobenzoic acid
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![5-[3-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-chlorobenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2fd9fe7590724f56a0c8d9581c25c367.png "5-[3-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-chlorobenzoic acid")
5-[3-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-chlorobenzoic acid
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CAS No:
359798-80-4
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Formula:
C23H17BrClN3O3
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Chemical Name:
5-[3-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-chlorobenzoic acid
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Synonyms:
5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid;ZINC2246028;STK183153;AKOS003252918;359798-80-4
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CAS No:
5-[3-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-chlorobenzoic acid Basic Attributes
498.8 g/mol
497.01418 g/mol
Computed Properties
Molecular Weight:498.8
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:497.01418
Monoisotopic Mass:497.01418
Topological Polar Surface Area:95.1
Heavy Atom Count:31
Complexity:766
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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