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CAS Number: 866588-11-6
ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate

Structure

ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate
Name: ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate
Synonyms:
General Information
Product Number: 866588116

CAS Registry Number 866588-11-6
Name:
1H-​Pyrazole-​3-​carboxylic acid, 5-​(4-​fluorophenyl)​-​, ethyl ester
Ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate

 

Chemical Formula: C12H11FN2O2
Exact Mass: 234.08
Molecular Weight: 234.23
m/z: 234.08 (100.0%), 235.08 (13.8%)

 

InChI:InChI=1S/C12H11FN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15)

InChI Key:XYKNUKFAXFVJRH-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=CC(=NN1)C2=CC=C(C=C2)F

 

Thermal Properties Value Condition Note
Melting Point 188-189 °C   (1)CAS

Specification

98%

References
  1. (1) Dang, Tung T.; Tetrahedron 2008, V64(9), P2207-2215 CAPLUS
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