Chem
J-GLOBAL ID：201507007571399540   Nikkaji number：J3.397.236I

3-(o-Chlorophenyl)-5-(p-fluorophenyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester

3-(o-クロロフェニル)-5-(p-フルオロフェニル)-1H-ピロール-2-カルボン酸tert-ブチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H19ClFNO2
Molecular formula furigana： C21-H19-CL-F-N-O2
Molecular weight： 371.840
InChI： InChI=1S/C21H19ClFNO2/c1-21(2,3)26-20(25)19-16(15-6-4-5-7-17(15)22)12-18(24-19)13-8-10-14(23)11-9-13/h4-12,24H,1-3H3
InChI key： VMDAWBJCCYOBTH-UHFFFAOYSA-N
SMILES： CC(C)(C)OC(=O)c1[nH]c(cc1c1ccccc1Cl)c1ccc(F)cc1
Systematic name  (3)：
  • 3-(o-クロロフェニル)-5-(p-フルオロフェニル)-1H-ピロール-2-カルボン酸tert-ブチル
  • tert-ブチル 3-(2-クロロフェニル)-5-(4-フルオロフェニル)-1H-ピロール-2-カルボキシラート
  • tert-butyl 3-(2-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrrole-2-carboxylate
Other name (1)：
  • 3-(o-Chlorophenyl)-5-(p-fluorophenyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
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