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68496-63-9,MFCD27920328
Catalog No.:AA01AG0X

68496-63-9 | 5-phenyl-1,3,4-oxadiazole-2-carbonitrile

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Purity
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Quantity
  
100mg
95%
1 week  
$178.00   $125.00
- +
250mg
95%
1 week  
$300.00   $210.00
- +
1g
95%
1 week  
$807.00   $565.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01AG0X
Chemical Name:
5-phenyl-1,3,4-oxadiazole-2-carbonitrile
CAS Number:
68496-63-9
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
MDL Number:
MFCD27920328
SMILES:
N#Cc1nnc(o1)c1ccccc1
Properties
Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
1  
XLogP3:
1.5  

Downstream Synthesis Route

[1]Kristinsson,H.[Synthesis,1979,p.102-103]

[1]Honma,T.;Tada,Y.[Heterocycles,1977,vol.6,p.1985-1991]

[2]Terui,Yoshihiro;Yamakawa,Masumi;Honma,Tsunetoshi;Tada,Yukio;Tori,Kazuo[Heterocycles,1982,vol.19,#2,p.221-228]

[1]Honma,T.;Tada,Y.[Heterocycles,1977,vol.6,p.1985-1991]

[1]Dost,J.;Heschel,M.;Stein,J.[JournalfurpraktischeChemie(Leipzig1954),1985,vol.327,#1,p.109-116]

[2]CurrentPatentAssignee:ELILILLY&CO-WO2005/9941,2005,A1Locationinpatent:Page24-25

Literature
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SDS
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Tags:68496-63-9 Molecular Formula|68496-63-9 MDL|68496-63-9 SMILES|68496-63-9 5-phenyl-1,3,4-oxadiazole-2-carbonitrile