Methyl 2-(6-Methylheptyl)-4,6-Dinitrophenyl Carbonate

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Formula C16H22N2O7
IUPAC Name methyl [2-(6-methylheptyl)-4,6-dinitro-phenyl] carbonate
Molecular Mass 354.355 g·mol−1
Heat of Formation -584.4 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 420.95 Å 3
Surface Area 377.1 Å 2
HOMO Energy -10.82 ± 0.55 eV
LUMO Energy -2.04 ± eV
Point Group Symmetry C1
Synonyms
  • carbonic acid methyl [2-(6-methylheptyl)-4,6-dinitro-phenyl] ester
  • carbonic acid methyl [2-(6-methylheptyl)-4,6-dinitrophenyl] ester
  • carbonic acid, 2-isooctyl-4,6-dinitrophenyl methyl ester
  • dinocton 6
  • methyl [2-(6-methylheptyl)-4,6-dinitrophenyl] carbonate
CAS Number(s)
  • 32534-96-6
InChIKey ODOSVAWLEGXOPB-UHFFFAOYSA-N
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