Phenylnitroethane

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Properties Simple | Detailed

Formula C8H9NO2
IUPAC Name 2-nitroethylbenzene
Molecular Mass 151.163 g·mol−1
Heat of Formation 18.2 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 185.57 Å 3
Surface Area 187.52 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry Cs
Synonyms
  • (2-nitroethyl)benzene
  • 1-nitro-2-phenylethane
  • benzene, (2-nitroethyl)-
  • benzene, (2-nitroethyl)- (8ci)(9ci)
  • dihydroxy-(2-phenylethyl)amine
  • n,n-dihydroxy-2-phenyl-ethanamine
  • n,n-dihydroxy-2-phenylethanamine
CAS Number(s)
  • 6125-24-2
InChIKey XAWCLWKTUKMCMO-UHFFFAOYSA-N
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