4-(Dichloromethylene)-2-(Trichloromethyl)-4H-1,3-Benzodioxine-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C11H5Cl5O4
IUPAC Name (2s)-4-(dichloromethylene)-2-(trichloromethyl)-1,3-benzodioxine-6-carboxylic acid
Molecular Mass 378.420 g·mol−1
Heat of Formation -681.3 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 338.58 Å 3
Surface Area 282.49 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
InChIKey WZRNENAPILBIHS-JTQLQIEISA-N
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Elements H C O Cl