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1375064-45-1,MFCD22192327
Catalog No.:AA0013B7

1375064-45-1 | 5-(4-Cyanophenyl)isoxazole-3-carboxylic acid

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Purity
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Price(USD)
Quantity
  
250mg
97%
in stock  
$273.00   $191.00
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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:
AA0013B7
Chemical Name:
5-(4-Cyanophenyl)isoxazole-3-carboxylic acid
CAS Number:
1375064-45-1
Molecular Formula:
C11H6N2O3
Molecular Weight:
214.1769
MDL Number:
MFCD22192327
SMILES:
N#Cc1ccc(cc1)c1onc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
314  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.7  

Downstream Synthesis Route

[1]Johansson,NiklasG.;Turku,Ainoleena;Vidilaseris,Keni;Dreano,Loïc;Khattab,Ayman;AyusoPérez,Daniel;Wilkinson,Aaron;Zhang,Yuezhou;Tamminen,Matti;Grazhdankin,Evgeni;Kiriazis,Alexandros;Fishwick,ColinW.G.;Meri,Seppo;Yli-Kauhaluoma,Jari;Goldman,Adrian;BoijeAfGennäs,Gustav;Xhaard,Henri[ACSMedicinalChemistryLetters,2020,vol.11,#4,p.605-610]

[2]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US2014/31369,2014,A1Locationinpatent:Paragraph0265;0266

[3]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2014/16191,2014,A1Locationinpatent:Page/Pagecolumn59

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2014/16191,2014,A1

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US2014/31369,2014,A1

[2]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2014/16191,2014,A1

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US2014/31369,2014,A1Locationinpatent:Paragraph0267;0268

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2014/16191,2014,A1Locationinpatent:Page/Pagecolumn59;60

Literature
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