(E,2R,5R)-2,4,5,6,6-Pentachloro-2-Methyl-6-Nitro-Hex-3-Enoic Acid

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Properties Simple | Detailed

Formula C7H7Cl5NO4
IUPAC Name (e,2r,5r)-2,4,5,6,6-pentachloro-2-methyl-6-nitro-hex-3-enoic acid
Molecular Mass 346.400 g·mol−1
Heat of Formation -580.2 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 307.81 Å 3
Surface Area 251.07 Å 2
HOMO Energy -10.88 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry C1
InChIKey FSEJWFCADSBARP-KWSRFBNISA-N
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Elements H C N O Cl