{2,6-Dimethyl-5-[(4,5,7-Trifluoro-1,3-Benzothiazol-2-Yl)Methyl]-3-Pyridinyl}Acetic Acid

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Formula C17H13F3N2O2S
IUPAC Name 2-[2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3-pyridyl]acetic acid
Molecular Mass 366.358 g·mol−1
Heat of Formation -714.4 ± 16.7 kJ·mol−1
Dipole Moment 1.36 ± 1.08 D
Volume 391.41 Å 3
Surface Area 346.67 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl]acetic acid
  • 2-[2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl]ethanoic acid
InChIKey SGWFOCMKXJYHKO-UHFFFAOYSA-N
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