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Home > Encyclopedia > 8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione structure

8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione 

structure
  • CAS No:

    4921-55-5

  • Formula:

    C7H7ClN4O2

  • Chemical Name:

    8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

  • 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

  • Categories:

    Pharmaceutical Intermediates  >  Antibacterials

8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione Basic Attributes

230.65154

214.61

-0

Characteristics

67.2

0.2

290 °C

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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