7-Amino-4-Chloro-3-(2-Bromo-Ethoxy)-Isocoumarin

Molecule SVG Image

Properties Simple | Detailed

Formula C11H9BrClNO3
IUPAC Name 7-amino-3-(2-bromoethoxy)-4-chloro-isochromen-1-one
Molecular Mass 318.551 g·mol−1
Heat of Formation -368.2 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 285.98 Å 3
Surface Area 267.62 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 7-amino-3-(2-bromoethoxy)-4-chloro-1-isochromenone
  • 7-amino-3-(2-bromoethoxy)-4-chloroisochromen-1-one
  • 7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin
CAS Number(s)
  • 126062-22-4
InChIKey BROYONYUMXAAPY-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N Br