4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid
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![4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/529de70a0a464c378366a30877046e33.png "4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid")
4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid
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CAS No:
6059-51-4
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Formula:
C17H11BrN2O3
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Chemical Name:
4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid
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Synonyms:
ST51012987;6059-51-4;DTXSID20367425;ZINC5074129;AKOS024373870;BIM-0048692.P001;SR-01000226484;SR-01000226484-1;4-{(1Z)-2-[N-(3-bromophenyl)carbamoyl]-2-cyanovinyl}benzoic acid
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CAS No:
4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid Basic Attributes
371.2 g/mol
369.99530 g/mol
DTXSID20367425
Computed Properties
Molecular Weight:371.2
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:369.99530
Monoisotopic Mass:369.99530
Topological Polar Surface Area:90.2
Heavy Atom Count:23
Complexity:529
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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