1-Isothiocyanato-4-(4-Nitrophenoxy)Benzene

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Properties Simple | Detailed

Formula C13H8N2O3S
IUPAC Name 1-isothiocyanato-4-(4-nitrophenoxy)benzene
Molecular Mass 272.279 g·mol−1
Heat of Formation 195.3 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 302.27 Å 3
Surface Area 285.53 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-isothiocyanatophenoxy)-4-nitro-benzene
  • 4-(4-nitrophenoxy)phenyl isothiocyanat
  • benzene, 1-isothiocyanato-4-(4-nitrophenoxy)-
  • cantrodifene
  • cga 23654
  • d05193
  • gs 23654
  • isothiocyanic acid, p-(p-nitrophenoxy)phenyl ester
  • lopatol
  • nitroscanate
  • nitroscanate (usan)
  • p-(p-nitrophenoxy)phenyl isothiocyanate
CAS Number(s)
  • 19881-18-6
InChIKey SVMGVZLUIWGYPH-UHFFFAOYSA-N
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