| Formula |
C18H13F6NO4S |
| IUPAC Name |
[3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl] 4,4,4-trifluorobutane-1-sulfonate |
| Molecular Mass |
453.356 g·mol−1 |
| Heat of Formation |
-1694.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.88 ± 1.08 D |
| Volume |
462.11 Å 3 |
| Surface Area |
385.58 Å 2 |
| HOMO Energy |
-9.52 ± 0.55 eV |
| LUMO Energy |
-1.73 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4,4,4-trifluorobutane-1-sulfonic acid [3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl] ester
|
| InChIKey |
LWUSZIVDPJPVBW-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
Wikipedia
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
C
F
H
O
N
S
|
| |
|
