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Journal of Chemistry
/
2017
/
Article
/
Tab 3
/
Research Article
Theoretical Study about the Effect of Halogen Substitution on the Reactivity of Antitumor 3-Formylchromones and Their Free Radicals
Table 3
Fukui (
) and Parr (
) functions for the nucleophilic attack at carbons 5, 6, and 7.
Molecule
f
+
P
+
C5
C6
C7
C5
C6
C7
1
0.217
0.156
ā0.054
0.752
0.110
0.099
2
0.192
0.183
0.064
0.751
0.114
0.094
3
0.165
0.113
0.048
0.262
0.044
0.151
4
0.072
0.129
0.080
0.122
0.038
0.169