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168619-05-4,MFCD03424603
Catalog No.:AA001Y3Z

168619-05-4 | 3'-(Trifluoromethyl)biphenyl-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
96
in stock  
$86.00   $60.00
- +
1g
96
in stock  
$212.00   $148.00
- +
5g
96%
in stock  
$942.00   $660.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001Y3Z
Chemical Name:
3'-(Trifluoromethyl)biphenyl-3-carboxylic acid
CAS Number:
168619-05-4
Molecular Formula:
C14H9F3O2
Molecular Weight:
266.2153
MDL Number:
MFCD03424603
SMILES:
OC(=O)c1cccc(c1)c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
327  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
4.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:INFINITYPHARMACEUTICALSINC-WO2008/63300,2008,A2Locationinpatent:Page/Pagecolumn173-174

2C7H4F3(1-)*Ti(4+)*4C2H5O(1-)*2Mg(2+)*2Cl(1-) 
 
2C7H5O2(1-)*2Li(1+)*Ti(4+)*4C2H5O(1-) 
  168619-05-4 

[1]Liu,Kun-Ming;Zhang,Rui;Duan,Xin-Fang[OrganicandBiomolecularChemistry,2016,vol.14,#5,p.1593-1598]

Literature
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SDS
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Tags:168619-05-4 Molecular Formula|168619-05-4 MDL|168619-05-4 SMILES|168619-05-4 3'-(Trifluoromethyl)biphenyl-3-carboxylic acid