7-(4-amino-2-methylphenyl)-8-chloro-1,3-dimethylpurine-2,6-dione
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7-(4-amino-2-methylphenyl)-8-chloro-1,3-dimethylpurine-2,6-dione
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CAS No:
72898-68-1
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Formula:
C14H14ClN5O2
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Chemical Name:
7-(4-amino-2-methylphenyl)-8-chloro-1,3-dimethylpurine-2,6-dione
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Synonyms:
7-(4-amino-2-methyl-phenyl)-8-chloro-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; Theophylline,7-(4-amino-o-tolyl)-8-chloro; 3,7-Dihydro-7-(4-amino-2-methylphenyl)-8-chloro-1,3-dimethyl-1H-purine-2,6-dione; 1H-Purine-2,6-dione,3,7-dihydro-7-(4-amino-2-methylphenyl)-8-chloro-1,3-dimethyl; 7-(4-Aminophenyl)-8-chlor-theophyllin;
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CAS No:
7-(4-amino-2-methylphenyl)-8-chloro-1,3-dimethylpurine-2,6-dione Basic Attributes
319.74600
319.0836024
DTXSID60223192
Computed Properties
Molecular Weight:319.74
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:319.0836024
Monoisotopic Mass:319.0836024
Topological Polar Surface Area:84.5
Heavy Atom Count:22
Complexity:490
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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