Formula |
C21H15Cl2N3O4 |
IUPAC Name |
(e)-3-[3-chloro-5-[4-chloro-2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]phenyl]prop-2-enenitrile |
Molecular Mass |
444.267 g·mol−1 |
Heat of Formation |
-321.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.00 ± 1.08 D |
Volume |
473.94 Å 3 |
Surface Area |
380.62 Å 2 |
HOMO Energy |
-9.80 ± 0.55 eV |
LUMO Energy |
1.54 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LXPGWIGXHHBGJC-OWOJBTEDSA-N |
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Links |
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Elements |
H
C
N
O
Cl
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