3-Bromophenyl Isobutyl Carbonate

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Properties Simple | Detailed

Formula C11H13BrO3
IUPAC Name (3-bromophenyl) isobutyl carbonate
Molecular Mass 273.123 g·mol−1
Heat of Formation -444.0 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 274.16 Å 3
Surface Area 265.37 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (3-bromophenyl) 2-methylpropyl carbonate
  • 3-bromophenol, isoboc
CAS Number(s)
  • 5406-69-9
InChIKey BGVXUCZFFMKOEG-UHFFFAOYSA-N
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Elements H C O Br