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 |