5-bromo-2-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
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5-bromo-2-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
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CAS No:
799785-28-7
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Formula:
C16H9BrN2O6
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Chemical Name:
5-bromo-2-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
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Synonyms:
5-bromo-2-{5-[(Z)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]furan-2-yl}benzoic acid;ZINC6083935;STK581978;STL233013;AKOS005152482;AKOS005505780;AKOS025273204;MCULE-6743737656;5-bromo-2-{5-[(Z)-(2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]furan-2-yl}benzoic acid;799785-28-7
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CAS No:
5-bromo-2-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid Basic Attributes
405.16 g/mol
403.96440 g/mol
Computed Properties
Molecular Weight:405.16
XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:403.96440
Monoisotopic Mass:403.96440
Topological Polar Surface Area:126
Heavy Atom Count:25
Complexity:627
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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