Bay 38-7271

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Properties Simple | Detailed

Formula C20H21F3O5S
IUPAC Name [3-[(2r)-2-(hydroxymethyl)indan-4-yl]oxyphenyl] 4,4,4-trifluorobutane-1-sulfonate
Molecular Mass 430.438 g·mol−1
Heat of Formation -1429.3 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 465.94 Å 3
Surface Area 390.82 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • 4,4,4-trifluorobutane-1-sulfonic acid [3-[(2r)-2-methylolindan-4-yl]oxyphenyl] ester
  • 4,4,4-trifluorobutane-1-sulfonic acid [3-[[(2r)-2-(hydroxymethyl)-4-indanyl]oxy]phenyl] ester
  • [3-[(2r)-2-(hydroxymethyl)indan-4-yl]oxyphenyl] 4,4,4-trifluorobutane-1-sulfonate
  • [3-[[(2r)-2-(hydroxymethyl)-2,3-dihydro-1h-inden-4-yl]oxy]phenyl] 4,4,4-trifluorobutane-1-sulfonate
  • pdsp1_000951
  • pdsp2_000936
InChIKey XJURALZPEJKKOV-CQSZACIVSA-N
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