2-{5-[(2S)-3-Butyn-2-Yloxy]-4-Chloro-2-Fluorophenyl}-4,5,6,7-Tetrahydro-1H-Isoindole-1,3(2H)-Dione
Properties
Property | Value |
---|---|
Formula | C18H15ClFNO3 |
IUPAC Name | 2-[4-chloro-2-fluoro-5-[(1s)-1-methylprop-2-ynoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione |
Molecular Mass | 347.768 g·mol−1 |
Heat of Formation | -330.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.69 ± 1.08 D |
Volume | 377.93 Å 3 |
Surface Area | 337.74 Å 2 |
HOMO Energy | -8.88 ± 0.55 eV |
LUMO Energy | -1.29 ± eV |
Point Group Symmetry | C1 |
InChIKey | ONNQFZOZHDEENE-JTQLQIEISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H Cl O N |