2-(2,4-Dinitrophenoxy)-3-Iodo-1-Isopropyl-4-Methyl-5-Nitrobenzene

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Properties Simple | Detailed

Formula C16H14IN3O7
IUPAC Name 2-(2,4-dinitrophenoxy)-3-iodo-1-isopropyl-4-methyl-5-nitro-benzene
Molecular Mass 487.203 g·mol−1
Heat of Formation -7.4 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 435.61 Å 3
Surface Area 360.29 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -2.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2-iodo-2',4',4'-trinitro-3-methyl-6-isopropyl diphenyl ether
  • 2-iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether
  • 4-(2,4-dinitrophenoxy)-3-iodo-2-methyl-1-nitro-5-propan-2-yl-benzene
  • 4-(2,4-dinitrophenoxy)-3-iodo-2-methyl-1-nitro-5-propan-2-ylbenzene
  • benzene, 2-(2,4-dinitrophenoxy)-3-iodo-4-methyl-1-(1-methylethyl)-5-nitro-
  • dnp-int
  • iodonitrothymol dinitrophenyl ether
CAS Number(s)
  • 69311-70-2
InChIKey JWEBDWJHYHAROA-UHFFFAOYSA-N
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