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8-chloro-1,3-dimethyl-7-phenylpurine-2,6-dione

8-chloro-1,3-dimethyl-7-phenylpurine-2,6-dione structure

CAS No:
963-42-8
Formula:
C13H11ClN4O2
Chemical Name:
8-chloro-1,3-dimethyl-7-phenylpurine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-8-chloro-1,3-dimethyl-7-phenyl; 8-chloro-1,3-dimethyl-7-phenyl-3,7-dihydro-1h-purine-2,6-dione; Theophylline,8-chloro-7-phenyl; 3,7-Dihydro-8-chloro-1,3-dimethyl-7-phenyl-1H-purine-2,6-dione; 8-chloro-1,3-dimethyl-7-phenyl-3,7-dihydro-purine-2,6-dione; 1,3-dimethyl-7-phenyl-8-chloro-xanthine; 8-Chlor-7-phenyl-theophyllin; 7-Phenyl-8-chlor-theophyllin;Expand

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8-chloro-1,3-dimethyl-7-phenylpurine-2,6-dione Basic Attributes

Molecular Weight：

290.70500

Exact Mass：

290.0570533 g/mol

DSSTox ID：

DTXSID50242195

Characteristics

PSA：

61.82000

XLogP3：

1.07630

Density：

1.48g/cm3

Boiling Point：

507.4ºC

Flash Point：

260.7ºC

Refractive Index：

1.7

Computed Properties

Molecular Weight:290.70
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:290.0570533
Monoisotopic Mass:290.0570533
Topological Polar Surface Area:58.4
Heavy Atom Count:20
Complexity:427
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-chloro-1,3-dimethyl-7-phenylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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