(2R)-2-Heptanyl [(5-Chloro-8-Quinolinyl)Oxy]Acetate

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Properties Simple | Detailed

Formula C18H22ClNO3
IUPAC Name [(1r)-1-methylhexyl] 2-[(5-chloro-8-quinolyl)oxy]acetate
Molecular Mass 335.825 g·mol−1
Heat of Formation -455.1 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 403.98 Å 3
Surface Area 374.68 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(5-chloro-8-quinolyl)oxy]acetic acid [(1r)-1-methylhexyl] ester
  • [(1r)-1-methylhexyl] 2-[(5-chloro-8-quinolyl)oxy]acetate
  • [(2r)-heptan-2-yl] 2-(5-chloroquinolin-8-yl)oxyacetate
  • [(2r)-heptan-2-yl] 2-(5-chloroquinolin-8-yl)oxyethanoate
InChIKey COYBRKAVBMYYSF-CYBMUJFWSA-N
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Elements H C N O Cl