Formula |
C27H19F3N4O3 |
IUPAC Name |
4-[(2s)-2-(4-cyanophenyl)-2-hydroxy-2-(3-methylimidazol-4-yl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]benzonitrile |
Molecular Mass |
504.460 g·mol−1 |
Heat of Formation |
-535.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.58 ± 1.08 D |
Volume |
561.34 Å 3 |
Surface Area |
441.31 Å 2 |
HOMO Energy |
-9.60 ± 0.55 eV |
LUMO Energy |
1.80 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[(2s)-2-(4-cyanophenyl)-2-hydroxy-2-(3-methyl-4-imidazolyl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]benzonitrile
- a-409100
- abt 100
- abt-100
- abt100
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CAS Number(s) |
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InChIKey |
HEUVRFNVTLGKMZ-SANMLTNESA-N |
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Links |
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Downloads |
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Elements |
H
C
N
O
F
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