2,2'-({2-Hydroxy-3-Methyl-5-[4,5,6,7-Tetrabromo-1-(4-Hydroxy-3-Methylphenyl)-3-Oxo-1,3-Dihydro-2-Benzofuran-1-Yl]Benzyl}Imino)Diacetic Acid
Properties
Property | Value |
---|---|
Formula | C27H21Br4NO8 |
IUPAC Name | 2-[carboxymethyl-[[2-hydroxy-3-methyl-5-[(1s)-4,5,6,7-tetrabromo-1-(4-hydroxy-3-methyl-phenyl)-3-oxo-isobenzofuran-1-yl]phenyl]methyl]amino]acetic acid |
Molecular Mass | 807.074 g·mol−1 |
Heat of Formation | -1080.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.19 ± 1.08 D |
Volume | 676.8 Å 3 |
Surface Area | 510.43 Å 2 |
HOMO Energy | -9.00 ± 0.55 eV |
LUMO Energy | -1.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | FUUVMYKRXAJJQG-MHZLTWQESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Br N |