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

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Properties Simple | Detailed

Formula C11H6Cl6O4
IUPAC Name (2s,4r)-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine-6-carboxylic acid
Molecular Mass 414.881 g·mol−1
Heat of Formation -813.2 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 355.3 Å 3
Surface Area 287.0 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
InChIKey HZFGCTHPYZTKEK-VXNVDRBHSA-N
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Elements H C O Cl