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Home Other Building Blocks 1176505-26-2
1176505-26-2,MFCD11935183
Catalog No.:AA019VGD

1176505-26-2 | 3-(1,3,4-oxadiazol-2-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$97.00   $68.00
- +
1g
95%
in stock  
$260.00   $182.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA019VGD
Chemical Name:
3-(1,3,4-oxadiazol-2-yl)benzoic acid
CAS Number:
1176505-26-2
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD11935183
SMILES:
OC(=O)c1cccc(c1)c1nnco1
Properties
Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
0.9  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ABBVIEINC-US2010/160323,2010,A1Locationinpatent:Page/Pagecolumn25

1176505-26-2   
2-amino-1-4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl-ethanonehydrochloride 
  1232028-08-8 

[1]CurrentPatentAssignee:ABBVIEINC-US2010/160323,2010,A1Locationinpatent:Page/Pagecolumn25-26

2-fluorobenzenesulfonylhydrazide 
  1176505-26-2   
N'-(3-(1,3,4-oxadiazol-2-yl)benzoyl)-2-fluorobenzenesulfonohydrazide 

[1]Priebbenow,DanielL.;Leaver,DavidJ.;Nguyen,Nghi;Cleary,Benjamin;Lagiakos,H.Rachel;Sanchez,Julie;Xue,Lian;Huang,Fei;Sun,Yuxin;Mujumdar,Prashant;Mudududdla,Ramesh;Varghese,Swapna;Teguh,Silvia;Charman,SusanA.;White,KarenL.;Shackleford,DavidM.;Katneni,Kasiram;Cuellar,Matthew;Strasser,JessicaM.;Dahlin,JaymeL.;Walters,MichaelA.;Street,IanP.;Monahan,BrendonJ.;Jarman,KateE.;JoussetSabroux,Helene;Falk,Hendrik;Chung,MatthewC.;Hermans,StefanJ.;Downer,NatalieL.;Parker,MichaelW.;Voss,AnneK.;Thomas,Tim;Baell,JonathanB.[JournalofMedicinalChemistry,2020,vol.63,#9,p.4655-4684]

Literature
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Tags:1176505-26-2 Molecular Formula|1176505-26-2 MDL|1176505-26-2 SMILES|1176505-26-2 3-(1,3,4-oxadiazol-2-yl)benzoic acid