4-Azido-2-Nitro-1-(Phenylsulfanyl)Benzene

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Properties Simple | Detailed

Formula C12H8N4O2S
IUPAC Name 4-azido-2-nitro-1-phenylsulfanylbenzene
Molecular Mass 272.283 g·mol−1
Heat of Formation 2544.7 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 279.56 Å 3
Surface Area 260.6 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -2.90 ± eV
Point Group Symmetry C1
Synonyms
  • 4-azido-2-nitro-1-(phenylthio)benzene
  • 4-azido-2-nitro-1-(phenylthio-35s)benzene
  • 4-azido-2-nitro-1-phenylsulfanyl-benzene
  • 4-azido-2-nitro-1-phenylsulfanylbenzene
  • benzene, 4-azido-2-nitro-1-(phenylthio-35s)-
  • s-(4-azido-2-nitrophenyl)thiophenol (35s)
CAS Number(s)
  • 71800-42-5
InChIKey PLCQIDHJDMUWIU-UHFFFAOYSA-N
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