| Formula |
C19H10BrClFN5O |
| IUPAC Name |
3-[6-bromo-2-fluoro-3-(pyrazolo[3,4-c]pyridazin-1-ium-2-id-3-ylmethyl)phenoxy]-5-chloro-benzonitrile |
| Molecular Mass |
458.671 g·mol−1 |
| Heat of Formation |
354.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.35 ± 1.08 D |
| Volume |
439.56 Å 3 |
| Surface Area |
345.18 Å 2 |
| HOMO Energy |
-9.69 ± 0.55 eV |
| LUMO Energy |
1.72 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
OHQMEDBYNUAVNE-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
Br
|
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