[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 2,4-dichlorobenzoate
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![[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 2,4-dichlorobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6c826b5adf974720b41dd06a84fc6e30.png "[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 2,4-dichlorobenzoate")
[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 2,4-dichlorobenzoate
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CAS No:
117782-63-5
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Formula:
C17H16Cl2N4O5
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Chemical Name:
[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 2,4-dichlorobenzoate
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Synonyms:
7-gamma-(beta-hydroxypropyl)theophylline 2',4'-dichlorobenzoate;HME2;117782-63-5;HME2;ACMC-20chwy;3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)-2-hydroxypropyl 2,4-dichlorobenzoate;DTXSID70922543;7-gamma-(beta-Hydroxypropyl)theophylline 2',4'-dichlorobenzoate;[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 2,4-dichlorobenzoate;Benzoic acid,2,4-dichloro-,2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propylester
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CAS No:
[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 2,4-dichlorobenzoate Basic Attributes
427.2 g/mol
426.0497750 g/mol
Computed Properties
Molecular Weight:427.2
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:426.0497750
Monoisotopic Mass:426.0497750
Topological Polar Surface Area:105
Heavy Atom Count:28
Complexity:639
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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