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Home Fluorides 168013-75-0
168013-75-0,MFCD12169340
Catalog No.:AA007VLN

168013-75-0 | Benzeneacetonitrile, .alpha.-hydroxy-4-(trifluoromethyl)-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$238.00   $167.00
- +
250mg
95%
in stock  
$341.00   $239.00
- +
1g
95%
in stock  
$774.00   $542.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007VLN
Chemical Name:
Benzeneacetonitrile, .alpha.-hydroxy-4-(trifluoromethyl)-
CAS Number:
168013-75-0
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD12169340
SMILES:
OC(c1ccc(cc1)C(F)(F)F)C#N
Properties
Computed Properties
 
Complexity:
234  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.9  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1963,vol.6,p.266-272

100-58-3    168013-75-0   
2-Hydroxy-1-phenyl-2-(4-trifluoromethyl-phenyl)-ethanone 

[1]JournaloftheAmericanChemicalSociety,1995,vol.117,p.3044-3053

[1]JournaloftheAmericanChemicalSociety,1995,vol.117,p.3044-3053

[2]JournalofOrganicChemistry,2011,vol.76,p.9764-9776

[1]TetrahedronAsymmetry,2001,vol.12,p.843-846

[1]JournaloftheAmericanChemicalSociety,2005,vol.127,p.1090-1091

Literature
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SDS
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Tags:168013-75-0 Molecular Formula|168013-75-0 MDL|168013-75-0 SMILES|168013-75-0 Benzeneacetonitrile, .alpha.-hydroxy-4-(trifluoromethyl)-