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

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Properties Simple | Detailed

Formula C20H11F6N3O
IUPAC Name 4-[2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
Molecular Mass 423.311 g·mol−1
Heat of Formation -902.2 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 429.78 Å 3
Surface Area 375.12 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 0.90 ± 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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