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913836-04-1,MFCD08689540
Catalog No.:AA00GTA4

913836-04-1 | 2-(3-Boronophenyl)-5-methyl-1,3,4-oxadiazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$29.00   $20.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00GTA4
Chemical Name:
2-(3-Boronophenyl)-5-methyl-1,3,4-oxadiazole
CAS Number:
913836-04-1
Molecular Formula:
C9H9BN2O3
Molecular Weight:
203.9904
MDL Number:
MFCD08689540
SMILES:
Cc1nnc(o1)c1cccc(c1)B(O)O
Properties
Properties
 
BP:
447.8 °C at 760 mmHg  
Form:
Solid  
MP:
160-162  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
218  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2011/112191,2011,A1Locationinpatent:Page/Pagecolumn217

[1]Mitachi,Katsuhiko;Salinas,YandiraG.;Connelly,Michele;Jensen,Nicholas;Ling,Taotao;Rivas,Fatima[BioorganicandMedicinalChemistryLetters,2012,vol.22,#14,p.4536-4539]

[1]Patel,Gautam;Karver,CaitlinE.;Behera,Ranjan;Guyett,PaulJ.;Sullenberger,Catherine;Edwards,Peter;Roncal,NormaE.;Mensa-Wilmot,Kojo;Pollastri,MichaelP.[JournalofMedicinalChemistry,2013,vol.56,#10,p.3820-3832]

913836-04-1   
C19H27IN4O4 
 
C27H33N7O5 

[1]Dwyer,MichaelP.;Keertikar,Kartik;Paruch,Kamil;Alvarez,Carmen;Labroli,Marc;Poker,Cory;Fischmann,ThierryO.;Mayer-Ezell,Rosemary;Bond,Richard;Wang,Yan;Azevedo,Rita;Guzi,TimothyJ.[BioorganicandMedicinalChemistryLetters,2013,vol.23,#22,p.6178-6182]

Literature
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SDS
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Tags:913836-04-1 Molecular Formula|913836-04-1 MDL|913836-04-1 SMILES|913836-04-1 2-(3-Boronophenyl)-5-methyl-1,3,4-oxadiazole
Catalog No.: AA00GTA4
913836-04-1,MFCD08689540
913836-04-1 | 2-(3-Boronophenyl)-5-methyl-1,3,4-oxadiazole
Pack Size： 100mg
Purity： 98%
in stock
$29.00 $20.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00GTA4
Chemical Name: 2-(3-Boronophenyl)-5-methyl-1,3,4-oxadiazole
CAS Number: 913836-04-1
Molecular Formula: C9H9BN2O3
Molecular Weight: 203.9904
MDL Number: MFCD08689540
SMILES: Cc1nnc(o1)c1cccc(c1)B(O)O
Properties
BP: 447.8 °C at 760 mmHg  
Form: Solid  
MP: 160-162  
Storage: 2-8℃;  
Complexity: 218  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
Downstream Synthesis Route
1217340-76-5    913836-04-1    1217339-35-9 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2011/112191,2011,A1Locationinpatent:Page/Pagecolumn217

913836-04-1    1390665-75-4    1390666-38-2 

[1]Mitachi,Katsuhiko;Salinas,YandiraG.;Connelly,Michele;Jensen,Nicholas;Ling,Taotao;Rivas,Fatima[BioorganicandMedicinalChemistryLetters,2012,vol.22,#14,p.4536-4539]

851684-46-3    913836-04-1    1432450-46-8 

[1]Patel,Gautam;Karver,CaitlinE.;Behera,Ranjan;Guyett,PaulJ.;Sullenberger,Catherine;Edwards,Peter;Roncal,NormaE.;Mensa-Wilmot,Kojo;Pollastri,MichaelP.[JournalofMedicinalChemistry,2013,vol.56,#10,p.3820-3832]

913836-04-1   
C19H27IN4O4 
 
C27H33N7O5 

[1]Dwyer,MichaelP.;Keertikar,Kartik;Paruch,Kamil;Alvarez,Carmen;Labroli,Marc;Poker,Cory;Fischmann,ThierryO.;Mayer-Ezell,Rosemary;Bond,Richard;Wang,Yan;Azevedo,Rita;Guzi,TimothyJ.[BioorganicandMedicinalChemistryLetters,2013,vol.23,#22,p.6178-6182]

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