| Formula |
C16H8ClF6N3O2 |
| IUPAC Name |
3-[3,5-bis(trifluoromethyl)phenyl]-4-(5-chloro-2-hydroxy-phenyl)-1h-1,2,4-triazol-5-one |
| Molecular Mass |
423.697 g·mol−1 |
| Heat of Formation |
-1320.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.58 ± 1.08 D |
| Volume |
415.76 Å 3 |
| Surface Area |
333.65 Å 2 |
| HOMO Energy |
-9.60 ± 0.55 eV |
| LUMO Energy |
1.42 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 5-[3,5-bis(trifluoromethyl)phenyl]-4-(5-chloro-2-hydroxy-phenyl)-2h-1,2,4-triazol-3-one
- 5-[3,5-bis(trifluoromethyl)phenyl]-4-(5-chloro-2-hydroxyphenyl)-2h-1,2,4-triazol-3-one
|
| InChIKey |
BNYUSNMOFGIAGK-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
C
F
H
Cl
O
N
|
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