Flurazole

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Properties Simple | Detailed

Formula C12H7ClF3NO2S
IUPAC Name benzyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate
Molecular Mass 321.703 g·mol−1
Heat of Formation -722.0 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 318.12 Å 3
Surface Area 293.65 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -2.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-4-(trifluoromethyl)-5-thiazolecarboxylic acid phenylmethyl ester
  • 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylic acid benzyl ester
  • 5-thiazolecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, phenylmethyl ester
  • benzyl 2-chloro-4-(trifluoromethyl)-5-thiazolecarboxylate
  • phenylmethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
  • phenylmethyl 2-chloro-4-(trifluoromethyl)-5-thiazolecarboxylate
  • phenylmethyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate
  • screen
CAS Number(s)
  • 72850-64-7
InChIKey MKQSWTQPLLCSOB-UHFFFAOYSA-N
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