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121582-55-6,MFCD00141006
Catalog No.:AA001591

121582-55-6 | 3-Pyridazinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-1-[3-(trifluoromethyl)phenyl]-, methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
1 week  
$129.00   $91.00
- +
1g
97%
1 week  
$286.00   $200.00
- +
5g
>95%
1 week  
$1,337.00   $936.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001591
Chemical Name:
3-Pyridazinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-1-[3-(trifluoromethyl)phenyl]-, methyl ester
CAS Number:
121582-55-6
Molecular Formula:
C13H9F3N2O4
Molecular Weight:
314.2168
MDL Number:
MFCD00141006
SMILES:
COC(=O)c1nn(c2cccc(c2)C(F)(F)F)c(=O)cc1O
Properties
Computed Properties
 
Complexity:
542  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Schober,BerntD.;Megyeri,Gabor;Kappe,Thomas[JournalofHeterocyclicChemistry,1989,vol.26,p.169-176]

[1]Schober,BerndtD.;Megyeri,Gabor;Kappe,Thomas[JournalofHeterocyclicChemistry,1990,vol.27,#3,p.471-477]

[1]Schober,BerntD.;Megyeri,Gabor;Kappe,Thomas[JournalofHeterocyclicChemistry,1989,vol.26,p.169-176]

[1]Schober,BerntD.;Megyeri,Gabor;Kappe,Thomas[JournalofHeterocyclicChemistry,1989,vol.26,p.169-176]

[1]Schober,BerntD.;Megyeri,Gabor;Kappe,Thomas[JournalofHeterocyclicChemistry,1989,vol.26,p.169-176]

Literature
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Additional Info:
SDS
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Tags:121582-55-6 Molecular Formula|121582-55-6 MDL|121582-55-6 SMILES|121582-55-6 3-Pyridazinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-1-[3-(trifluoromethyl)phenyl]-, methyl ester