1,2-Dinitro-3-Sulfo-Benzene

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Formula C6H6N2O7S
IUPAC Name 1,2-dinitro-3-sulfo-benzene
Molecular Mass 250.186 g·mol−1
Heat of Formation -402.8 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 224.6 Å 3
Surface Area 209.11 Å 2
HOMO Energy -11.78 ± 0.55 eV
LUMO Energy -2.70 ± eV
Point Group Symmetry C1
InChIKey YWQBMYDMXYXDBY-UHFFFAOYSA-N
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