1-Isopropoxy-2-Nitrobenzene

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Properties Simple | Detailed

Formula C9H11NO3
IUPAC Name 1-isopropoxy-2-nitro-benzene
Molecular Mass 181.189 g·mol−1
Heat of Formation -149.7 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 214.76 Å 3
Surface Area 206.69 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • 1-nitro-2-propan-2-yloxy-benzene
  • 1-nitro-2-propan-2-yloxybenzene
  • 2-isopropoxynitrobenzene
  • benzene, 1-(1-methylethoxy)-2-nitro-
  • ether, isopropyl o-nitrophenyl
  • isopropyl o-nitrophenyl ether
  • o-isopropoxynitrobenzene
  • o-nitrophenyl isopropyl ether
CAS Number(s)
  • 38753-50-3
InChIKey YGURTOHWDPSBAA-UHFFFAOYSA-N
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