Formula |
C18H10Cl2F5N5S |
IUPAC Name |
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylsulfanyl)-5-(2-pyridylmethylamino)pyrazole-3-carbonitrile |
Molecular Mass |
494.269 g·mol−1 |
Heat of Formation |
-534.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.69 ± 1.08 D |
Volume |
492.28 Å 3 |
Surface Area |
377.18 Å 2 |
HOMO Energy |
-9.22 ± 0.55 eV |
LUMO Energy |
1.03 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylsulfanyl)-5-(2-pyridylmethylamino)pyrazole-3-carbonitrile
- 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylsulfanyl)-5-(pyridin-2-ylmethylamino)pyrazole-3-carbonitrile
- 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylthio)-5-(2-pyridylmethylamino)-3-pyrazolecarbonitrile
- 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylthio)-5-(2-pyridylmethylamino)pyrazole-3-carbonitrile
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InChIKey |
MWMQNVGAHVXSPE-UHFFFAOYSA-N |
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Downloads |
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Elements |
C
F
H
Cl
N
S
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