6-(4-{[3-(2,6-Dichlorophenyl)-5-Isopropyl-1,2-Oxazol-4-Yl]Methoxy}Phenyl)-1-Naphthoic Acid

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Properties Simple | Detailed

Formula C30H23Cl2NO4
IUPAC Name 6-[4-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]phenyl]naphthalene-1-carboxylic acid
Molecular Mass 532.414 g·mol−1
Heat of Formation -245.7 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 599.2 Å 3
Surface Area 501.19 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[4-[[3-(2,6-dichlorophenyl)-5-isopropyl-4-isoxazolyl]methoxy]phenyl]-1-naphthalenecarboxylic acid
  • 6-[4-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]phenyl]-1-naphthoic acid
  • 6-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]naphthalene-1-carboxylic acid
InChIKey TUOXXRMLFZBSTB-UHFFFAOYSA-N
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