2-(Octyloxy)Nitrobenzene

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Properties Simple | Detailed

Formula C14H21NO3
IUPAC Name 1-nitro-2-octoxy-benzene
Molecular Mass 251.321 g·mol−1
Heat of Formation -240.4 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 325.3 Å 3
Surface Area 313.43 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1-nitro-2-(octyloxy)benzene
  • 1-nitro-2-octyloxybenzene
  • 2-nitrophenyl octyl ether
  • benzene, 1-nitro-2-(octyloxy)-
  • octyl o-nitrophenyl ether
CAS Number(s)
  • 37682-29-4
InChIKey CXVOIIMJZFREMM-UHFFFAOYSA-N
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