1-(4-Isothiocyanato-2-Nitrophenyl)-1H-Imidazole

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Formula C10H6N4O2S
IUPAC Name 3-(4-isothiocyanato-2-nitro-phenyl)-4h-imidazol-3-ium-4-ylium
Molecular Mass 246.245 g·mol−1
Heat of Formation 444.4 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 257.05 Å 3
Surface Area 244.12 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-isothiocyanato-2-nitro-phenyl)imidazole
  • 1-(4-isothiocyanato-2-nitrophenyl)imidazole
  • 1h-imidazole, 1-(4-isothiocyanato-2-nitrophenyl)-
  • n-(2-nitro-4-isothiocyanophenyl)imidazole
  • nipi
CAS Number(s)
  • 130482-32-5
InChIKey GFXQUCWFEPCALC-UHFFFAOYSA-N
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