| Formula |
C24H16F3NO4 |
| IUPAC Name |
2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-1-ium-3-yl]-2-oxo-acetic acid |
| Molecular Mass |
439.383 g·mol−1 |
| Heat of Formation |
-939.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.64 ± 1.08 D |
| Volume |
478.55 Å 3 |
| Surface Area |
418.15 Å 2 |
| HOMO Energy |
-8.93 ± 0.55 eV |
| LUMO Energy |
-0.98 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (1-benzyl-5-(4-(trifluoromethoxy)phenyl)-1h-indol-3-yl)oxoacetic acid
- 2-[1-(benzyl)-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-keto-acetic acid
- 2-oxo-2-[1-(phenylmethyl)-5-[4-(trifluoromethoxy)phenyl]-3-indolyl]acetic acid
- 2-oxo-2-[1-(phenylmethyl)-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]acetic acid
- 2-oxo-2-[1-(phenylmethyl)-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]ethanoic acid
- d06160
- pai-039
- tiplasinin (usan)
|
| CAS Number(s) |
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| InChIKey |
ODXQFEWQSHNQNI-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
N
O
F
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