(2S)-2-(4-{[3-Chloro-5-(Trifluoromethyl)-2-Pyridinyl]Oxy}Phenoxy)Propanoic Acid

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Properties Simple | Detailed

Formula C15H11ClF3NO4
IUPAC Name (2s)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propanoic acid
Molecular Mass 361.700 g·mol−1
Heat of Formation -1144.4 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 371.34 Å 3
Surface Area 339.62 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propanoic acid
  • (2s)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propionic acid
InChIKey GOCUAJYOYBLQRH-QMMMGPOBSA-N
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Elements C F H Cl O N