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7-(4-chlorophenyl)-1,3-dimethylpurine-2,6-dione

7-(4-chlorophenyl)-1,3-dimethylpurine-2,6-dione structure

CAS No:
36748-65-9
Formula:
C13H11ClN4O2
Chemical Name:
7-(4-chlorophenyl)-1,3-dimethylpurine-2,6-dione
Synonyms:
7-p-Chlorphenyltheophyllin; 7-(4-chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; Theophylline,7-(p-chlorophenyl); 7-(4-Chlorphenyl)-theophyllin; 7-(4-chlorophenyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; 7-(4-Clorofenil)teofillina [Italian]; 7-(4-Clorofenil)teofillina; 3,7-Dihydro-7-(4-chlorophenyl)-1,3-dimethyl-1H-purine-2,6-dione; 1H-Purine-2,6-dione,3,7-dihydro-7-(4-chlorophenyl)-1,3-dimethyl;Expand

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7-(4-chlorophenyl)-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

290.70500

Exact Mass：

290.0570533 g/mol

DSSTox ID：

DTXSID30190206

HScode：

2933990090

Characteristics

PSA：

61.82000

XLogP3：

1.07630

Density：

1.48g/cm3

Boiling Point：

485ºC

Flash Point：

247.1ºC

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:425
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-(4-chlorophenyl)-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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