3-Benzyl-6-Chloro-2H-Pyran-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C12H9ClO2
IUPAC Name 3-benzyl-6-chloro-pyran-2-one
Molecular Mass 220.652 g·mol−1
Heat of Formation -158.3 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 248.38 Å 3
Surface Area 234.36 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-pyran-2-one, 6-chloro-3-(phenylmethyl)-
  • 3-(benzyl)-6-chloro-pyran-2-one
  • 3-bcp
  • 3-benzyl-6-chloro-2-pyrone
  • 6-chloro-3-(phenylmethyl)-2-pyranone
  • 6-chloro-3-(phenylmethyl)pyran-2-one
CAS Number(s)
  • 85533-80-8
InChIKey XHTCTUGLQUCSFJ-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