4-(Bromomethyl)-2-Oxo-2H-Chromen-7-Yl Acetate

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Properties Simple | Detailed

Formula C12H9BrO4
IUPAC Name [4-(bromomethyl)-2-oxo-chromen-7-yl] acetate
Molecular Mass 297.101 g·mol−1
Heat of Formation -538.2 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 272.97 Å 3
Surface Area 259.35 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 1.62 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 7-(acetyloxy)-4-(bromomethyl)-
  • 4-bromomethyl-7-acetoxycoumarin
  • 7-acetoxy-4-bromomethylcoumarin
  • [4-(bromomethyl)-2-oxo-chromen-7-yl] ethanoate
  • [4-(bromomethyl)-2-oxochromen-7-yl] acetate
  • acetic acid [4-(bromomethyl)-2-keto-chromen-7-yl] ester
  • acetic acid [4-(bromomethyl)-2-oxo-7-chromenyl] ester
CAS Number(s)
  • 2747-04-8
InChIKey YDJFMNSSDOXBSR-UHFFFAOYSA-N
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Elements H C O Br