5-[3-(Benzylamino)Phenyl]-4-Bromo-3-(Carboxymethoxy)-2-Thiophenecarboxylic Acid
Properties
Property | Value |
---|---|
Formula | C20H16BrNO5S |
IUPAC Name | 5-[3-(benzylamino)phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid |
Molecular Mass | 462.314 g·mol−1 |
Heat of Formation | -547.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.75 ± 1.08 D |
Volume | 458.1 Å 3 |
Surface Area | 409.69 Å 2 |
HOMO Energy | -8.58 ± 0.55 eV |
LUMO Energy | -1.62 ± eV |
Point Group Symmetry | C1 |
InChIKey | XEQPGVUGYAUMSA-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N S Br |