Ethyl 1-(2-Chlorophenyl)-3,5-Dimethyl-1H-Pyrazole-4-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C14H15ClN2O2
IUPAC Name ethyl 1-(2-chlorophenyl)-3,5-dimethyl-pyrazol-1-ium-5-ylium-4-carboxylate
Molecular Mass 278.734 g·mol−1
Heat of Formation -173.3 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 325.57 Å 3
Surface Area 296.64 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chlorophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
  • 1-(2-chlorophenyl)-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester
  • 1-(2-chlorophenyl)-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester
  • 6de
  • ethyl 1-(2-chlorophenyl)-3,5-dimethyl-pyrazole-4-carboxylate
  • ethyl 1-(2-chlorophenyl)-3,5-dimethylpyrazole-4-carboxylate
InChIKey XQCKNCFQOJFQFK-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Cl O N