3-[[(E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
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![3-[[(E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d74ba4a0b2914e82afc57024b0fab92a.png "3-[[(E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid")
3-[[(E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
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CAS No:
380475-05-8
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Formula:
C19H15BrN2O5
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Chemical Name:
3-[[(E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
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Synonyms:
3-[(2E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoylamino]benzoic acid;380475-05-8;STL383467;ZINC15277103;AKOS024285288;3-[[(E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid;ST082790;3-{[(2E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino}benzoic acid
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CAS No:
3-[[(E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Basic Attributes
431.2 g/mol
430.01643 g/mol
Computed Properties
Molecular Weight:431.2
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:430.01643
Monoisotopic Mass:430.01643
Topological Polar Surface Area:109
Heavy Atom Count:27
Complexity:629
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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