Diethyl (2,5-Dichloro-3,6-Dioxo-1,4-Cyclohexadiene-1,4-Diyl)Biscarbamate

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Properties Simple | Detailed

Formula C12H12Cl2N2O6
IUPAC Name ethyl n-[2,5-dichloro-4-(ethoxycarbonylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]carbamate
Molecular Mass 351.139 g·mol−1
Heat of Formation -919.2 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 355.69 Å 3
Surface Area 334.32 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -2.22 ± eV
Point Group Symmetry C2
Synonyms
  • carbamic acid, (2,5-dichloro-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis-, diethyl ester
  • n-[2,5-dichloro-4-(ethoxycarbonylamino)-3,6-dioxo-1-cyclohexa-1,4-dienyl]carbamic acid ethyl ester
  • n-[4-(carbethoxyamino)-2,5-dichloro-3,6-diketo-1-cyclohexa-1,4-dienyl]carbamic acid ethyl ester
  • rq14
CAS Number(s)
  • 33251-22-8
InChIKey LMNZJHSIDYBWNO-UHFFFAOYSA-N
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Elements H C N O Cl