4-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
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![4-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/28f4780b353b4b2cab595ecca2cc4595.png "4-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID")
4-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
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CAS No:
532432-36-3
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Formula:
C18H14Br2N2O4S
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Chemical Name:
4-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
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Synonyms:
CTK8J0761;DTXSID20403771;4-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
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CAS No:
4-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Basic Attributes
514.188
513.902
DTXSID20403771
Computed Properties
Molecular Weight:514.2
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:513.90205
Monoisotopic Mass:511.90410
Topological Polar Surface Area:120
Heavy Atom Count:27
Complexity:582
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
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