3,4-Dichloroisocoumarin

Molecule SVG Image

Properties Simple | Detailed

Formula C9H4Cl2O2
IUPAC Name 3,4-dichloroisochromen-1-one
Molecular Mass 215.033 g·mol−1
Heat of Formation -205.0 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 206.9 Å 3
Surface Area 200.21 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-2-benzopyran-1-one, 3,4-dichloro-
  • 3,4-dci
  • 3,4-dcl
  • 3,4-dichloro-1-isochromenone
  • 3,4-dichloro-1h-2-benzopyran-1-one
  • 3,4-dichloro-1h-isochromen-1-one
  • 3,4-dichloro-2-benzopyran-1-one
  • bio2_000269
  • bio2_000749
  • hsci1_000089
  • qtl1_000002
CAS Number(s)
  • 51050-59-0
InChIKey SUGXUUGGLDCZKB-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl