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174011-58-6,MFCD25960034
Catalog No.:AA019ENM

174011-58-6 | 4-Oxo-6-(trifluoromethoxy)-4H-chromene-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
2 weeks  
$247.00   $173.00
- +
2mg
2 weeks  
$268.00   $188.00
- +
3mg
2 weeks  
$299.00   $209.00
- +
5mg
2 weeks  
$320.00   $224.00
- +
10mg
2 weeks  
$349.00   $244.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA019ENM
Chemical Name:
4-Oxo-6-(trifluoromethoxy)-4H-chromene-2-carboxylic acid
CAS Number:
174011-58-6
Molecular Formula:
C11H5F3O5
Molecular Weight:
274.1496
MDL Number:
MFCD25960034
SMILES:
OC(=O)c1cc(=O)c2c(o1)ccc(c2)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
429  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.8  

Downstream Synthesis Route
1-benzo1,3dioxol-5-ylmethylpiperidin-4-ylaminedihydrochloride 
  174011-58-6   
4-oxo-6-trifluoromethoxy-4<i>H</i>-chromene-2-carboxylicacid(1-benzo1,3dioxol-5-ylmethyl-piperidin-4-yl)-amide 

[1]Lynch,JohnK.;Freeman,JenniferC.;Judd,AndrewS.;Iyengar,Rajesh;Mulhern,Mathew;Zhao,Gang;Napier,JamesJ.;Wodka,Dariusz;Brodjian,Sevan;Dayton,BrianD.;Falls,Doug;Ogiela,Christopher;Reilly,ReginaM.;Campbell,ThomasJ.;Polakowski,JamesS.;Hernandez,Lisa;Marsh,KennanC.;Shapiro,Robin;Knourek-Segel,Victoria;Droz,Brian;Bush,Eugene;Brune,Michael;Preusser,LeeC.;Fryer,RyanM.;Reinhart,GlennA.;Houseman,Kathryn;Diaz,Gilbert;Mikhail,Ann;Limberis,JamesT.;Sham,HingL.;Collins,ChristineA.;Kym,PhilipR.[JournalofMedicinalChemistry,2006,vol.49,#22,p.6569-6584]

[1]CurrentPatentAssignee:SANTHERAPHARMACEUTICALSHOLDINGAG-WO2004/83208,2004,A1Locationinpatent:Page99-100

174011-58-6    33513-42-7   
4-chloro-6-(trifluoromethoxy)coumarin 

[1]CurrentPatentAssignee:PFIZERINC-US5681968,1997,ACurrentPatentAssignee:PFIZERINC-US5563280,1996,A

337913-25-4   
2-4-(trifluoromethoxy)phenoxyfumaricacid 
  174011-58-6 

[1]CurrentPatentAssignee:PFIZERINC-US5563280,1996,A

[2]CurrentPatentAssignee:PFIZERINC-US5681968,1997,A

Literature
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SDS
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Tags:174011-58-6 Molecular Formula|174011-58-6 MDL|174011-58-6 SMILES|174011-58-6 4-Oxo-6-(trifluoromethoxy)-4H-chromene-2-carboxylic acid