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100442-49-7,MFCD10696384
Catalog No.:AA0001XQ

100442-49-7 | 5-(Chloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$412.00   $288.00
- +
5g
95%
in stock  
$1,642.00   $1,149.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0001XQ
Chemical Name:
5-(Chloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CAS Number:
100442-49-7
Molecular Formula:
C4H2ClF3N2O
Molecular Weight:
186.5197
MDL Number:
MFCD10696384
SMILES:
ClCc1onc(n1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
142  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
1  
XLogP3:
1.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:IRMLLC-WO2011/44001,2011,A1Locationinpatent:Page/Pagecolumn73-74

[1]CurrentPatentAssignee:IRMLLC-WO2011/44001,2011,A1Locationinpatent:Page/Pagecolumn61-62

100442-49-7   
4-(((1r,4r)-4-(2-fluoro-4-(methylsulfonyl)phenyl)cyclohexyloxy)methyl)piperidinehydrochloride 
 
5-((4-(((1r,4r)-4-(2-fluoro-4-(methylsulfonyl)phenyl)cyclohexyloxy)methyl)piperidin-1-yl)methyl)-3-(trifluoromethyl)-1,2,4-oxadiazole 

[1]CurrentPatentAssignee:PFIZERINC-WO2012/135570,2012,A1Locationinpatent:Page/Pagecolumn132

100442-49-7   
1-((1r,4r)-4-((2-fluoro-4-(methylsulfonyl)phenoxy)methyl)cyclohexyl)piperazinedihydrochloride 
 
5-((4-((1r,4r)-4-((2-fluoro-4-(methylsulfonyl)phenoxy)methyl)cyclohexyl)piperazin-1-yl)methyl)-3-(trifluoromethyl)-1,2,4-oxadiazole 

[1]CurrentPatentAssignee:PFIZERINC-WO2012/145361,2012,A1Locationinpatent:Page/Pagecolumn194;195

[1]CurrentPatentAssignee:PFIZERINC-WO2012/145361,2012,A1Locationinpatent:Page/Pagecolumn194

Literature
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SDS
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Tags:100442-49-7 Molecular Formula|100442-49-7 MDL|100442-49-7 SMILES|100442-49-7 5-(Chloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole