8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
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8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
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CAS No:
4921-55-5
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Formula:
C7H7ClN4O2
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Chemical Name:
8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
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Synonyms:
1H-Purine-2,6-dione,8-chloro-3,7-dihydro-3,7-dimethyl-;Theobromine,8-chloro-;8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione;8-Chlorotheobromine
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CAS No:
Computed Properties
Molecular Weight:214.61
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:214.0257532
Monoisotopic Mass:214.0257532
Topological Polar Surface Area:67.2
Heavy Atom Count:14
Complexity:297
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
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