Sulcotrione

Molecule SVG Image

Properties Simple | Detailed

Formula C14H13ClO5S
IUPAC Name 2-(2-chloro-4-methylsulfonyl-benzoyl)cyclohexane-1,3-dione
Molecular Mass 328.768 g·mol−1
Heat of Formation -782.5 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 344.14 Å 3
Surface Area 292.36 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-cyclohexanedione, 2-(2-chloro-4-(methylsulfonyl)benzoyl)-
  • 2-(2-chloro-4-mesyl-benzoyl)cyclohexane-1,3-quinone
  • 2-(2-chloro-4-methanesulfonylbenzoyl)-1,3-cyclohexanedione
  • 2-(2-chloro-4-methylsulfonyl-phenyl)carbonylcyclohexane-1,3-dione
  • 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione
  • 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]cyclohexane-1,3-dione
  • 2-[2-chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione
  • sc 0051
CAS Number(s)
  • 99105-77-8
  • 123174-48-1
  • 114680-61-4
InChIKey PQTBTIFWAXVEPB-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O Cl