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500779-09-9,MFCD11226938
Catalog No.:AA00DKYC

500779-09-9 | 2-(Carboxymethyl)-4-fluorobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
95%
in stock  
$72.00   $51.00
- +
10g
95%
in stock  
$96.00   $67.00
- +
25g
95%
in stock  
$218.00   $153.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DKYC
Chemical Name:
2-(Carboxymethyl)-4-fluorobenzoic acid
CAS Number:
500779-09-9
Molecular Formula:
C9H7FO4
Molecular Weight:
198.1479
MDL Number:
MFCD11226938
SMILES:
OC(=O)Cc1cc(F)ccc1C(=O)O
NSC Number:
403018
Properties
Computed Properties
 
Complexity:
241  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
1  

Downstream Synthesis Route
64-17-5    500779-09-9   
2-Ethoxycarbonyl-4-fluor-phenylessigsaeure-ethylester 

[1]Adcock,W.etal.[JournaloftheAmericanChemicalSociety,1973,vol.95,#22,p.7353-7358]

500779-09-9   
2-(2-bromoethyl)-1-(bromomethyl)-4-fluorobenzene 

[1]Adcock,W.etal.[JournaloftheAmericanChemicalSociety,1973,vol.95,#22,p.7353-7358]

[2]Trost,BarryM.;Kalnmals,ChristopherA.[Chemistry-AEuropeanJournal,2018,vol.24,#36,p.9066-9074]

500779-09-9   
2-5-fluoro-2-(hydroxymethyl)phenylethanol 

[1]Trost,BarryM.;Kalnmals,ChristopherA.[Chemistry-AEuropeanJournal,2018,vol.24,#36,p.9066-9074]

[2]Adcock,W.etal.[JournaloftheAmericanChemicalSociety,1973,vol.95,#22,p.7353-7358]

[1]Locationinpatent:schemeortableHumphries,PaulS.;Balan,Gayatri;Bechle,BruceM.;Conn,EdwardL.;Dirico,KennethJ.;Hui,Yu;Oliver,RobertM.;Southers,JamesA.;Yang,Xiaojing[TetrahedronLetters,2009,vol.50,#18,p.2140-2143]

[1]Locationinpatent:schemeortableHumphries,PaulS.;Balan,Gayatri;Bechle,BruceM.;Conn,EdwardL.;Dirico,KennethJ.;Hui,Yu;Oliver,RobertM.;Southers,JamesA.;Yang,Xiaojing[TetrahedronLetters,2009,vol.50,#18,p.2140-2143]

Literature
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SDS
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