3-(3,5-Dichloro-2-Hydroxy-6-Methoxy-4-Methylphenyl)-5,7-Dihydroxy-4-(3-Methyl-2-Buten-1-Yl)-1-Isoindolinone

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Properties Simple | Detailed

Formula C21H21Cl2NO5
IUPAC Name (3r)-3-(3,5-dichloro-2-hydroxy-6-methoxy-4-methyl-phenyl)-5,7-dihydroxy-4-(3-methylbut-2-enyl)isoindolin-1-one
Molecular Mass 438.301 g·mol−1
Heat of Formation -856.1 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 480.01 Å 3
Surface Area 360.59 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey IFONQCDBHMGEFN-GOSISDBHSA-N
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Elements H C N O Cl