2-[(2R)-2-Butanyl]-4,6-Dinitrophenyl Isopropyl Carbonate

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Properties Simple | Detailed

Formula C14H18N2O7
IUPAC Name isopropyl [2-[(1r)-1-methylpropyl]-4,6-dinitro-phenyl] carbonate
Molecular Mass 326.302 g·mol−1
Heat of Formation -578.4 ± 16.7 kJ·mol−1
Dipole Moment 7.00 ± 1.08 D
Volume 374.04 Å 3
Surface Area 323.68 Å 2
HOMO Energy -10.74 ± 0.55 eV
LUMO Energy 1.04 ± eV
Point Group Symmetry C1
Synonyms
  • [2-[(2r)-butan-2-yl]-4,6-dinitro-phenyl] propan-2-yl carbonate
  • [2-[(2r)-butan-2-yl]-4,6-dinitrophenyl] propan-2-yl carbonate
InChIKey HDWLUGYOLUHEMN-SECBINFHSA-N
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