Home Fluorides 349-10-0
349-10-0,MFCD00014339
Catalog No.:AA00BZAO

349-10-0 | 3-(Trifluoromethyl)mandelic acid

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250mg
95%
in stock  
$157.00   $110.00
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1g
95%
in stock  
$341.00   $239.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BZAO
Chemical Name:
3-(Trifluoromethyl)mandelic acid
CAS Number:
349-10-0
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD00014339
SMILES:
OC(=O)C(c1cccc(c1)C(F)(F)F)O
Properties
Computed Properties
 
Complexity:
239  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.5  

Downstream Synthesis Route
349-10-0   
3-Trifluormethyl-(R)-(-)-mandelsaeure 

[1]Hoover;Dunn;Jakas;Lam;Taggart;Guarini;Phillips[JournalofMedicinalChemistry,1974,vol.17,#1,p.34-41]

sodiummetabisulfite 
  454-89-7    349-10-0 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US4588749,1986,A

349-10-0   
C8H6(2)HF3O 

[1]Locationinpatent:experimentalpartBurns,Misty-Dawn;Lukeman,Matthew[PhotochemistryandPhotobiology,2010,vol.86,#4,p.821-826]

[1]CurrentPatentAssignee:ABBVIEINC-WO2013/49164,2013,A1Locationinpatent:Paragraph1046-1047

Literature
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SDS
Tags:349-10-0 Molecular Formula|349-10-0 MDL|349-10-0 SMILES|349-10-0 3-(Trifluoromethyl)mandelic acid