[2-(2-{[2-Chloro-5-(Trifluoromethyl)Phenyl]Amino}-2-Oxoethoxy)Phenyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C15H12ClF3NO5P
IUPAC Name [2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethoxy]phenyl]phosphonic acid
Molecular Mass 409.681 g·mol−1
Heat of Formation -1616.2 ± 16.7 kJ·mol−1
Dipole Moment 8.65 ± 1.08 D
Volume 404.01 Å 3
Surface Area 360.89 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • [2-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-keto-ethoxy]phenyl]phosphonic acid
  • [2-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxo-ethoxy]phenyl]phosphonic acid
  • [2-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethoxy]phenyl]phosphonic acid
InChIKey JQGAEOCOPMLHLZ-UHFFFAOYSA-N
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Elements C F H Cl O N P