Bronidox

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Properties Simple | Detailed

Formula C4H6BrNO4
IUPAC Name 5-bromo-5-nitro-1,3-dioxane
Molecular Mass 211.999 g·mol−1
Heat of Formation -341.8 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 170.31 Å 3
Surface Area 163.99 Å 2
HOMO Energy -10.75 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-dioxane, 5-bromo-5-nitro-
  • 5-bromo-5-nitro-m-dioxane
  • m-dioxane, 5-bromo-5-nitro-
CAS Number(s)
  • 30007-47-7
InChIKey XVBRCOKDZVQYAY-UHFFFAOYSA-N
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Elements H C O Br N