[2-(2,2-dichloroacetyl)oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2,2-dichloroacetate
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![[2-(2,2-dichloroacetyl)oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2,2-dichloroacetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/93030090d1bc4c0b984e50848293e8b7.png "[2-(2,2-dichloroacetyl)oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2,2-dichloroacetate")
[2-(2,2-dichloroacetyl)oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2,2-dichloroacetate
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CAS No:
37419-59-3
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Formula:
C14H14Cl4N4O6
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Chemical Name:
[2-(2,2-dichloroacetyl)oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2,2-dichloroacetate
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Synonyms:
37419-59-3;Diester dichloro acetique de 7-(2,3-dihydroxypropyl)theophylline [French];3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)propane-1,2-diyl bis(dichloroacetate);Acetic acid, dichloro-, 1-((1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl)-1,2-ethanediyl ester;DTXSID80958510;Diester dichloro acetique de 7-(2,3-dihydroxypropyl)theophylline
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CAS No:
[2-(2,2-dichloroacetyl)oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2,2-dichloroacetate Basic Attributes
476.1 g/mol
475.963795 g/mol
Computed Properties
Molecular Weight:476.1
XLogP3:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:475.963795
Monoisotopic Mass:473.966745
Topological Polar Surface Area:111
Heavy Atom Count:28
Complexity:651
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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