Isopropyl 5-(4-Bromo-1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl)-2-Chloro-4-Fluorobenzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C15H12BrClF4N2O2
IUPAC Name isopropyl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-1-ium-2-id-3-yl]-2-chloro-4-fluoro-benzoate
Molecular Mass 443.619 g·mol−1
Heat of Formation -984.0 ± 16.7 kJ·mol−1
Dipole Moment 0.84 ± 1.08 D
Volume 408.41 Å 3
Surface Area 355.96 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[4-bromo-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-chloro-4-fluorobenzoic acid isopropyl ester
  • 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluoro-benzoic acid isopropyl ester
  • benzoic acid, 5-(4-bromo-1-methyl-5-(trifluoromethyl)-1h-pyrazol-3-yl)-2-chloro-4-fluoro-, 1-methylethyl ester
  • fluazolate
  • fluazolate [iso:bsi]
  • isopropazol
  • isopropyl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluoro-benzoate
  • jv 485
  • mon 48500
  • propan-2-yl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluoro-benzoate
  • propan-2-yl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoate
CAS Number(s)
  • 174514-07-9
InChIKey FKLQIONHGSFYJY-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N Br