(S)-(2-Chlorophenyl)(4-Fluorophenyl)5-Pyrimidinylmethanol

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Properties Simple | Detailed

Formula C17H12ClFN2O
IUPAC Name (s)-(2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-yl-methanol
Molecular Mass 314.741 g·mol−1
Heat of Formation -68.4 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 342.29 Å 3
Surface Area 289.53 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey SAPGTCDSBGMXCD-KRWDZBQOSA-N
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Elements C F H Cl O N