2-[(2R,3R)-3-(2,4-Difluorophenyl)-3-Hydroxy-4-(1H-1,2,4-Triazol-1-Yl)-2-Butanyl]-4-[4-(2,2,3,3-Tetrafluoropropoxy)Phenyl]-2,4-Dihydro-3H-1,2,4-Triazol-3-One
Properties
Property | Value |
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Formula | C23H20F6N6O3 |
IUPAC Name | 2-[(1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one |
Molecular Mass | 542.434 g·mol−1 |
Heat of Formation | -1171.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.66 ± 1.08 D |
Volume | 570.64 Å 3 |
Surface Area | 474.69 Å 2 |
HOMO Energy | -9.32 ± 0.55 eV |
LUMO Energy | -0.85 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | CBHTUKXHISWMTH-JLCFBVMHSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |