| Formula |
C12H6BrClF4N2O2 |
| IUPAC Name |
5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-1-ium-2-id-3-yl]-2-chloro-4-fluoro-benzoic acid |
| Molecular Mass |
401.539 g·mol−1 |
| Heat of Formation |
-928.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.07 ± 1.08 D |
| Volume |
338.58 Å 3 |
| Surface Area |
304.18 Å 2 |
| HOMO Energy |
-9.73 ± 0.55 eV |
| LUMO Energy |
-1.32 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-bromo-3-(5'-carboxy-4'-chloro-2'-fluorophenyl)-1-methyl-5-trifluoromethyl-pyrazol
- 5-[4-bromo-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-chloro-4-fluorobenzoic acid
- 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluoro-benzoic acid
- 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoic acid
- omn
|
| InChIKey |
YNMHKERYELPEEF-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
Cl
H
F
O
N
Br
|
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