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29400-84-8,MFCD16044442
Catalog No.:AA00C23E

29400-84-8 | 4-Chloro-5-methyl-1h-pyrazole-3-carboxylic acid

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1g
95%
in stock  
$172.00   $120.00
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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:
AA00C23E
Chemical Name:
4-Chloro-5-methyl-1h-pyrazole-3-carboxylic acid
CAS Number:
29400-84-8
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
MDL Number:
MFCD16044442
SMILES:
OC(=O)c1n[nH]c(c1Cl)C
Properties
Computed Properties
 
Complexity:
153  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Janin,YvesL.[JournalofHeterocyclicChemistry,2013,vol.50,#6,p.1410-1414]

Literature

Title: Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a.

Journal: Bioorganic & medicinal chemistry letters 20071015

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SDS
Tags:29400-84-8 Molecular Formula|29400-84-8 MDL|29400-84-8 SMILES|29400-84-8 4-Chloro-5-methyl-1h-pyrazole-3-carboxylic acid