5-Bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]benzoic acid
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![5-Bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/518e0cda5f5a4d448aece107459c1a97.png "5-Bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]benzoic acid")
5-Bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]benzoic acid
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CAS No:
532430-59-4
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Formula:
C16H13BrN2O3S
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Chemical Name:
5-Bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]benzoic acid
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Synonyms:
Benzoic acid,5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-;Benzoic acid,5-bromo-2-[[[(phenylacetyl)amino]thioxomethyl]amino]-;5-Bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]benzoic acid
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CAS No:
Computed Properties
Molecular Weight:393.3
XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:391.98303
Monoisotopic Mass:391.98303
Topological Polar Surface Area:111
Heavy Atom Count:23
Complexity:455
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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