(2E)-3-(3-{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 C21H16ClN3O4++
IUPAC Name (e)-3-[3-[4-chloro-2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]phenyl]prop-2-enenitrile
Molecular Mass 409.822 g·mol−1
Heat of Formation -258.8 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 461.85 Å 3
Surface Area 396.53 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
InChIKey AXHHDHSEUVTPBV-DUXPYHPUSA-N
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Elements H C N O Cl