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128694-71-3,MFCD03419669
Catalog No.:AA009DVT

128694-71-3 | 4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009DVT
Chemical Name:
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
CAS Number:
128694-71-3
Molecular Formula:
C6H4ClF3N2O2
Molecular Weight:
228.5564
MDL Number:
MFCD03419669
SMILES:
OC(=O)c1n(C)nc(c1Cl)C(F)(F)F
Properties
Computed Properties
 
Complexity:
248  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.6  

Downstream Synthesis Route

[1]JournalofOrganicChemistry,2008,vol.73,p.3523-3529

Literature
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SDS
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Tags:128694-71-3 Molecular Formula|128694-71-3 MDL|128694-71-3 SMILES|128694-71-3 4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid