O-(2-Chloro-2,3,3-Trifluorocyclobutyl) O-Ethyl S-Propyl Phosphorothioate

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Formula C9H15ClF3O3PS
IUPAC Name (2s,3r)-2-chloro-3-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,1,2-trifluoro-cyclobutane
Molecular Mass 326.701 g·mol−1
Heat of Formation -1498.1 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 336.16 Å 3
Surface Area 293.47 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
InChIKey DEMICWQHGWSYPB-MFEDJLCLSA-N
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Elements C F H Cl O P S