(2E)-3-(3-Bromo-5-{4-Chloro-2-[2-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Ethoxy]Phenoxy}Phenyl)Acrylonitrile

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Properties Simple | Detailed

Formula C21H15BrClN3O4++
IUPAC Name (e)-3-[3-bromo-5-[4-chloro-2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]phenyl]prop-2-enenitrile
Molecular Mass 488.719 g·mol−1
Heat of Formation -239.8 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 491.12 Å 3
Surface Area 403.7 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey CDXBVRNWNVMMGU-OWOJBTEDSA-N
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Elements C Cl H O N Br