3-(P-(2-Chloroethyl)-A-Propylbenzyl)-4-Hydroxycoumarin
Properties
Property | Value |
---|---|
Formula | C21H21ClO3 |
IUPAC Name | 3-[(1r)-1-[4-(2-chloroethyl)phenyl]butyl]-4-hydroxy-chromen-2-one |
Molecular Mass | 356.843 g·mol−1 |
Heat of Formation | -421.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.77 ± 1.08 D |
Volume | 419.63 Å 3 |
Surface Area | 368.09 Å 2 |
HOMO Energy | -9.32 ± 0.55 eV |
LUMO Energy | -1.22 ± eV |
Point Group Symmetry | C1 |
InChIKey | XEBSDNCEYSPGIU-MRXNPFEDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Cl |