Formula |
C20H15ClF3NO4 |
IUPAC Name |
5-chloro-2-(hydroxymethyl)-6-methyl-3-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridin-4-ol |
Molecular Mass |
425.786 g·mol−1 |
Heat of Formation |
-1113.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.36 ± 1.08 D |
Volume |
445.78 Å 3 |
Surface Area |
392.36 Å 2 |
HOMO Energy |
-9.42 ± 0.55 eV |
LUMO Energy |
2.10 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YYKKTOLSPFTXSV-UHFFFAOYSA-N |
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Elements |
C
Cl
H
F
O
N
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