(4Br,7R,8Ar)-7-Methyl-7-[(1R)-4,4,4-Trifluoro-1-Hydroxy-2-Butyn-1-Yl]-4B,5,6,7,8,8A,9,10-Octahydro-2-Phenanthrenol
Properties
Property | Value |
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Formula | C19H21F3O2 |
IUPAC Name | (4br,7r,8ar)-7-methyl-7-[(1r)-4,4,4-trifluoro-1-hydroxy-but-2-ynyl]-5,6,8,8a,9,10-hexahydro-4bh-phenanthren-2-ol |
Molecular Mass | 338.364 g·mol−1 |
Heat of Formation | -833.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.38 ± 1.08 D |
Volume | 391.7 Å 3 |
Surface Area | 339.39 Å 2 |
HOMO Energy | -8.94 ± 0.55 eV |
LUMO Energy | -0.16 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | GCEHLIQGBSTENM-NKGKWGDASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O F |