6-(2,4-Difluorophenoxy)-3-(2-Methylphenyl)-1H-Pyrazolo[3,4-D]Pyrimidine

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Properties Simple | Detailed

Formula C18H12F2N4O
IUPAC Name 6-(2,4-difluorophenoxy)-3-(o-tolyl)-1h-pyrazolo[3,4-d]pyrimidine
Molecular Mass 338.311 g·mol−1
Heat of Formation 2865.5 ± 16.7 kJ·mol−1
Dipole Moment 20.94 ± 1.08 D
Volume 346.34 Å 3
Surface Area 317.36 Å 2
HOMO Energy -7.63 ± 0.55 eV
LUMO Energy -4.37 ± eV
Point Group Symmetry C1
InChIKey MWRHZZFHXSJLGY-UHFFFAOYSA-O
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