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Home Fluorides 54022-99-0
54022-99-0,MFCD00274244
Catalog No.:AA00D8KS

54022-99-0 | 5-[3-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID

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Purity
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1g
95%
in stock  
$112.00   $78.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D8KS
Chemical Name:
5-[3-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID
CAS Number:
54022-99-0
Molecular Formula:
C12H7F3O3
Molecular Weight:
256.1774
MDL Number:
MFCD00274244
SMILES:
OC(=O)c1ccc(o1)c1cccc(c1)C(F)(F)F
Properties
Properties
 
Form:
Solid  
MP:
199-205°C(lit.)  

Computed Properties
 
Complexity:
316  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.4  

Downstream Synthesis Route
54022-99-0    39067-45-3   
3-diethylamino-2,2-dimethylpropyl5-(m-trifluoromethylphenyl)-2-furoatehydrochloride 

[1]JournalofPharmaceuticalSciences,1980,vol.69,p.107-110

54022-99-0    33509-43-2   
C19H15F3N4O2S 

[1]Prasad,D.Jagadeesh;Karthikeyan;Karegoudar,PrakashB.;Poojary,Boja;Holla,B.Shivarama;Kumari,N.Suchetha[Phosphorus,SulfurandSiliconandtheRelatedElements,2007,vol.182,#5,p.1083-1091]

[1]Hu,Peng;Shang,Yaping;Su,Weiping[AngewandteChemie-InternationalEdition,2012,vol.51,#24,p.5945-5949]

[1]Bioorganicandmedicinalchemistry,2012,vol.20,p.6384-6393,10

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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