Bay 38-7271
Properties
Property | Value |
---|---|
Formula | C20H21F3O5S |
IUPAC Name | [3-[(2r)-2-(hydroxymethyl)indan-4-yl]oxyphenyl] 4,4,4-trifluorobutane-1-sulfonate |
Molecular Mass | 430.438 g·mol−1 |
Heat of Formation | -1429.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.58 ± 1.08 D |
Volume | 465.94 Å 3 |
Surface Area | 390.82 Å 2 |
HOMO Energy | -9.13 ± 0.55 eV |
LUMO Energy | 2.62 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | XJURALZPEJKKOV-CQSZACIVSA-N |
QR Code | Generate QR Code |
Links | PubChem Wikipedia ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O F |