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

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Properties Simple | Detailed

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
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Elements H C O Br N