[3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1H-Indazol-1-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C10H11F3N2O2
IUPAC Name 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-ium-3-ylium-1-yl]acetic acid
Molecular Mass 248.202 g·mol−1
Heat of Formation -887.9 ± 16.7 kJ·mol−1
Dipole Moment 6.51 ± 1.08 D
Volume 264.58 Å 3
Surface Area 243.13 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetic acid
  • 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid
  • 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanoic acid
  • bas 02104862
InChIKey NOFFCWXIBYKMBU-UHFFFAOYSA-N
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