5-Bromo-1,3-Benzodioxole

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Properties Simple | Detailed

Formula C7H5BrO2
IUPAC Name 5-bromo-1,3-benzodioxole
Molecular Mass 201.017 g·mol−1
Heat of Formation -144.3 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 169.53 Å 3
Surface Area 170.85 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-bromo-3,4-(methylenedioxy)benzene
  • 3,4-methylenedioxybromobenzene
  • 4-bromo-1,2-(methylenedioxy)benzene
  • 5-bromobenzo-1,3-dioxole
  • fr-0220
CAS Number(s)
  • 2635-13-4
InChIKey FBOYMIDCHINJKC-UHFFFAOYSA-N
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Elements H C O Br