[2,6-Dichloro-4-(3,5-Dioxo-4,5-Dihydro-1,2,4-Triazin-2(3H)-Yl)Phenyl](4-Fluorophenyl)Acetonitrile

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Formula C17H9Cl2FN4O2
IUPAC Name 2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-fluorophenyl)acetonitrile
Molecular Mass 391.183 g·mol−1
Heat of Formation -122.5 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 400.19 Å 3
Surface Area 344.61 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
InChIKey XQKYUBTUOHHNDV-LBPRGKRZSA-N
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Elements C F H Cl O N