5-Bromo-2-{[3-(Octyloxy)Benzyl]Sulfanyl}Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H27BrO3S |
| IUPAC Name | 5-bromo-2-[(3-octoxyphenyl)methylsulfanyl]benzoic acid |
| Molecular Mass | 451.417 g·mol−1 |
| Heat of Formation | -470.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.16 ± 1.08 D |
| Volume | 501.48 Å 3 |
| Surface Area | 460.88 Å 2 |
| HOMO Energy | -8.55 ± 0.55 eV |
| LUMO Energy | 1.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DMCLNIZKWQGPTM-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S H C Br O |