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1133-77-3,MFCD00463580
Catalog No.:AA0081RE

1133-77-3 | 1-Phenyl-1H-pyrazole-5-carboxylic acid

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Purity
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1g
98%
in stock  
$39.00   $28.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0081RE
Chemical Name:
1-Phenyl-1H-pyrazole-5-carboxylic acid
CAS Number:
1133-77-3
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00463580
SMILES:
OC(=O)c1ccnn1c1ccccc1
NSC Number:
40268
Properties
Computed Properties
 
Complexity:
214  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.8  

Downstream Synthesis Route

[1]JustusLiebigsAnnalenderChemie,1894,vol.278,p.295

173998-77-1    1133-77-3   
C17H20N4O3S 

[1]BioorganicandMedicinalChemistryLetters,2015,vol.25,p.5040-5047

173998-77-1    1133-77-3   
C25H26Cl2N6O4 

[1]BioorganicandMedicinalChemistryLetters,2015,vol.25,p.5040-5047

[1]Bergonzini,Giulia;Brandt,Peter;Fricke,Florian;Johansson,MagnusJ.;König,Burkhard;Schmalzbauer,Matthias;Svejstrup,ThomasD.[Chem,2020,vol.6,#10,p.2658-2672]

Literature
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SDS
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