2-[5-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
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![2-[5-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1197e3734d464c179492a0740a68e984.png "2-[5-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid")
2-[5-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
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CAS No:
340306-51-6
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Formula:
C22H13BrN2O6
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Chemical Name:
2-[5-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
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Synonyms:
2-(5-{(E)-[1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid;STK170915;STK601010;ZINC13810557;AKOS000324283;AKOS005537845;BIM-0039896.P001;(E)-2-(5-((1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid;2-(5-{(E)-[1-(3-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid;340306-51-6
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CAS No:
2-[5-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Basic Attributes
481.3 g/mol
479.99570 g/mol
Computed Properties
Molecular Weight:481.3
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:479.99570
Monoisotopic Mass:479.99570
Topological Polar Surface Area:117
Heavy Atom Count:31
Complexity:799
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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