| Formula |
C20H18F3N3O3S |
| IUPAC Name |
2-[2-methyl-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1-aza-2-azonia-3-azanidacyclopenta-1,4-dien-4-yl]methylsulfanyl]phenoxy]acetic acid |
| Molecular Mass |
437.435 g·mol−1 |
| Heat of Formation |
-815.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.73 ± 1.08 D |
| Volume |
476.67 Å 3 |
| Surface Area |
346.24 Å 2 |
| HOMO Energy |
-8.70 ± 0.55 eV |
| LUMO Energy |
-1.21 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[2-methyl-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methylsulfanyl]phenoxy]ethanoic acid
- 2-[2-methyl-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-4-triazolyl]methylthio]phenoxy]acetic acid
- 2-[2-methyl-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methylsulfanyl]phenoxy]acetic acid
- 2-[2-methyl-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methylthio]phenoxy]acetic acid
|
| InChIKey |
XJHXZGHPCAKRFK-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
O
N
S
|
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