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

Molecule SVG Image

Properties Simple | Detailed

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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl