2-Chloro-5-(Methylsulfonyl)-1,3-Dinitrobenzene

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Properties Simple | Detailed

Formula C7H5ClN2O6S
IUPAC Name 2-chloro-5-methylsulfonyl-1,3-dinitro-benzene
Molecular Mass 280.642 g·mol−1
Heat of Formation -272.1 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 257.95 Å 3
Surface Area 240.33 Å 2
HOMO Energy -11.22 ± 0.55 eV
LUMO Energy -2.41 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-chloro-5-mesyl-1,3-dinitro-benzene
  • 2-chloro-5-methylsulfonyl-1,3-dinitrobenzene
  • 4-chloro-3,5-dinitrophenylmethyl sulfone
  • benzene, 2-chloro-5-(methylsulfonyl)-1,3-dinitro-
CAS Number(s)
  • 4726-15-2
InChIKey XOXDOVDWSOCMQD-UHFFFAOYSA-N
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Elements C Cl H O N S