4-CHLORO-3-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
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![4-CHLORO-3-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e44a62a592c947bcbf9c802f719321b3.png "4-CHLORO-3-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID")
4-CHLORO-3-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
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CAS No:
530131-47-6
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Formula:
C18H13Br2ClN2O4S
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Chemical Name:
4-CHLORO-3-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
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Synonyms:
DTXSID00403799;4-chloro-3-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
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CAS No:
4-CHLORO-3-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Basic Attributes
548.6
547.86308
DTXSID00403799
Computed Properties
Molecular Weight:548.6
XLogP3:5.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:547.86308
Monoisotopic Mass:545.86513
Topological Polar Surface Area:120
Heavy Atom Count:28
Complexity:624
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-CHLORO-3-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
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