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8-chloro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione

8-chloro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione structure

CAS No:
1604-79-1
Formula:
C14H12ClN5O4
Chemical Name:
8-chloro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione
Synonyms:
7-p-Nitrobenzyl-8-chlor-theophyllin;

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8-chloro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Basic Attributes

Molecular Weight：

349.72900

Exact Mass：

349.0577816 g/mol

NSC Number：

278072

DSSTox ID：

DTXSID80313882

Characteristics

PSA：

107.64000

XLogP3：

1.56680

Density：

1.61g/cm3

Boiling Point：

614.4ºC

Flash Point：

325.4ºC

Refractive Index：

1.722

Vapor Pressure：

4.97E-15mmHg at 25°C

Computed Properties

Molecular Weight:349.73
XLogP3:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:349.0577816
Monoisotopic Mass:349.0577816
Topological Polar Surface Area:104
Heavy Atom Count:24
Complexity:548
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-chloro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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