4-[2-(3-Buten-1-Yl)-7-(Trifluoromethyl)-2H-Indazol-3-Yl]-1,3-Benzenediol
Properties
Property | Value |
---|---|
Formula | C18H15F3N2O2 |
IUPAC Name | 4-[2-but-3-enyl-7-(trifluoromethyl)indazol-2-ium-3-yl]benzene-1,3-diol |
Molecular Mass | 348.319 g·mol−1 |
Heat of Formation | -644.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.58 ± 1.08 D |
Volume | 390.14 Å 3 |
Surface Area | 340.91 Å 2 |
HOMO Energy | -9.16 ± 0.55 eV |
LUMO Energy | -1.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | RKJSPKRUGGIGEE-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C F O N |