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112055-35-3,MFCD03934803
Catalog No.:AA007CR1

112055-35-3 | Ethyl 1-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$258.00   $180.00
- +
1g
97%
in stock  
$540.00   $378.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007CR1
Chemical Name:
Ethyl 1-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CAS Number:
112055-35-3
Molecular Formula:
C13H10ClF3N2O2
Molecular Weight:
318.6789
MDL Number:
MFCD03934803
SMILES:
CCOC(=O)c1cnn(c1C(F)(F)F)c1cccc(c1)Cl
Properties
Computed Properties
 
Complexity:
381  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
4  
XLogP3:
3.7  

Downstream Synthesis Route

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

[2]Wu,Zhibing;Park,Hyung-Yeon;Xie,Dewen;Yang,Jingxin;Hou,Shuaitao;Shahzad,Nasir;Kim,ChanKyung;Yang,Song[JournalofAgriculturalandFoodChemistry,2021,vol.69,#4,p.1214-1223]

112055-35-3   
C16H10ClF3N4O 

[1]Wu,Zhibing;Park,Hyung-Yeon;Xie,Dewen;Yang,Jingxin;Hou,Shuaitao;Shahzad,Nasir;Kim,ChanKyung;Yang,Song[JournalofAgriculturalandFoodChemistry,2021,vol.69,#4,p.1214-1223]

112055-35-3   
C17H12ClF3N4O 

[1]Wu,Zhibing;Park,Hyung-Yeon;Xie,Dewen;Yang,Jingxin;Hou,Shuaitao;Shahzad,Nasir;Kim,ChanKyung;Yang,Song[JournalofAgriculturalandFoodChemistry,2021,vol.69,#4,p.1214-1223]

112055-35-3   
C16H9Cl2F3N4O 

[1]Wu,Zhibing;Park,Hyung-Yeon;Xie,Dewen;Yang,Jingxin;Hou,Shuaitao;Shahzad,Nasir;Kim,ChanKyung;Yang,Song[JournalofAgriculturalandFoodChemistry,2021,vol.69,#4,p.1214-1223]

Literature
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SDS
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Tags:112055-35-3 Molecular Formula|112055-35-3 MDL|112055-35-3 SMILES|112055-35-3 Ethyl 1-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate