4-[2-Phenyl-5,7-Bis(Trifluoromethyl)Pyrazolo[1,5-A]Pyrimidin-3-Yl]Phenol

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Formula C20H12F6N3O+
IUPAC Name 4-[2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]phenol
Molecular Mass 424.319 g·mol−1
Heat of Formation -912.6 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 425.54 Å 3
Surface Area 373.96 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
  • 4-[2-phenyl-5,7-bis(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]phenol
InChIKey AEZPAUSGTAHLOQ-UHFFFAOYSA-N
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