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Home Fluorides 54629-13-9
54629-13-9,MFCD00833409
Catalog No.:AA003ETE

54629-13-9 | 2-(4-Fluorophenoxy)nicotinic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$78.00   $55.00
- +
1g
97%
in stock  
$234.00   $164.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003ETE
Chemical Name:
2-(4-Fluorophenoxy)nicotinic acid
CAS Number:
54629-13-9
Molecular Formula:
C12H8FNO3
Molecular Weight:
233.1952
MDL Number:
MFCD00833409
SMILES:
Fc1ccc(cc1)Oc1ncccc1C(=O)O
Properties
Computed Properties
 
Complexity:
267  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.3  

Downstream Synthesis Route
6309-16-6    54629-13-9   
(R)(+)2-(4-Fluoro-phenoxy)-N-(1-thiophen-2-yl-ethyl)-nicotinamide 
 
(S)(-)2-(4-Fluoro-phenoxy)-N-(1-thiophen-2-yl-ethyl)-nicotinamide 

[1]Chambers,RobertJ.;Abrams,Kristin;Castleberry,TessaA.;Cheng,JohnB.;Fisher,DouglasA.;Kamath,AjithV.;Marfat,Anthony;Nettleton,DavidO.;Pillar,JoannD.;Salter,EbenD.;Sheils,AlissaL.;Shirley,JohnT.;Turner,ClaudiaR.;Umland,JohnP.;Lam,KelvinT.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#3,p.718-721]

[1]CurrentPatentAssignee:PFIZERINC-US6380218,2002,B1

214759-22-5   
1-(3-dimethylamino)-propyl)-3-ethylcarbodiimidehydrochloride 
  54629-13-9    80029-43-2    214755-31-4 

[1]Patent:US6380218,2002,B1

[1]Patent:US2003/191158,2003,A1.Locationinpatent:Page/Pagecolumn15

[1]Patent:WO2010/59838,2010,A2.Locationinpatent:Page/Pagecolumn122

Literature
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SDS
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Tags:54629-13-9 Molecular Formula|54629-13-9 MDL|54629-13-9 SMILES|54629-13-9 2-(4-Fluorophenoxy)nicotinic acid