(2S)-7-{3-[2-Chloro-4-(4-Fluorophenoxy)Phenoxy]Propoxy}-2-Ethyl-2-Chromanecarboxylic Acid

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Properties Simple | Detailed

Formula C27H26ClFO6
IUPAC Name (2s)-7-[3-[2-chloro-4-(4-fluorophenoxy)phenoxy]propoxy]-2-ethyl-chromane-2-carboxylic acid
Molecular Mass 500.943 g·mol−1
Heat of Formation -1077.4 ± 16.7 kJ·mol−1
Dipole Moment 1.17 ± 1.08 D
Volume 555.25 Å 3
Surface Area 404.96 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-7-[3-[2-chloro-4-(4-fluorophenoxy)phenoxy]propoxy]-2-ethyl-2-chromancarboxylic acid
  • (2s)-7-[3-[2-chloro-4-(4-fluorophenoxy)phenoxy]propoxy]-2-ethyl-chroman-2-carboxylic acid
  • (2s)-7-[3-[2-chloro-4-(4-fluorophenoxy)phenoxy]propoxy]-2-ethylchroman-2-carboxylic acid
InChIKey OKUQEVHPQXKPCP-MHZLTWQESA-N
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Elements H C F O Cl