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138907-80-9,MFCD09936018
Catalog No.:AA0019QI

138907-80-9 | 1-(4-Chlorophenyl)-1h-pyrazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$105.00   $73.00
- +
250mg
95%
in stock  
$179.00   $126.00
- +
1g
95%
in stock  
$417.00   $292.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0019QI
Chemical Name:
1-(4-Chlorophenyl)-1h-pyrazole-4-carboxylic acid
CAS Number:
138907-80-9
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
MDL Number:
MFCD09936018
SMILES:
Clc1ccc(cc1)n1ncc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
242  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2  

Downstream Synthesis Route

[1]Patent:US2012/316193,2012,A1.Locationinpatent:Page/Pagecolumn44

1293990-73-4    138907-80-9   
1-(4-chlorophenyl)-N-(2,2-dimethylpropanoyl)oxy-1H-pyrazole-4-carboxamide 

[1]Barber,JoyannS.;Scales,Stephanie;Tran-Dubé,Michelle;Wang,Fen;Sach,NealW.;Bernier,Louise;Collins,MichaelR.;Zhu,Jinjiang;McAlpine,IndrawanJ.;Patman,RyanL.[OrganicLetters,2019,vol.21,#14,p.5689-5693]

Literature

Title: Synthesis and structure-activity relationships of 1-phenylpyrazoles as xanthine oxidase inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20010409

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SDS
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Tags:138907-80-9 Molecular Formula|138907-80-9 MDL|138907-80-9 SMILES|138907-80-9 1-(4-Chlorophenyl)-1h-pyrazole-4-carboxylic acid