| Formula |
C18H11ClF2N4O3S |
| IUPAC Name |
3-(2-chloro-5-methylsulfonyl-phenyl)-6-(2,4-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-1-ium-3-ylium |
| Molecular Mass |
436.820 g·mol−1 |
| Heat of Formation |
-339.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.50 ± 1.08 D |
| Volume |
439.58 Å 3 |
| Surface Area |
387.16 Å 2 |
| HOMO Energy |
-9.78 ± 0.55 eV |
| LUMO Energy |
1.58 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 3-(2-chloro-5-mesyl-phenyl)-6-(2,4-difluorophenoxy)-2h-pyrazolo[3,4-d]pyrimidine
- 3-(2-chloro-5-methylsulfonyl-phenyl)-6-(2,4-difluorophenoxy)-2h-pyrazolo[3,4-d]pyrimidine
|
| InChIKey |
UZKJZUHMKHFCAD-UHFFFAOYSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
C
F
H
Cl
O
N
S
|
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