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83527-96-2,MFCD06803020
Catalog No.:AA0058KK

83527-96-2 | Methyl 2-(3-nitrophenyl)benzoate

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Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$378.00   $264.00
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1g
98%
in stock  
$776.00   $544.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0058KK
Chemical Name:
Methyl 2-(3-nitrophenyl)benzoate
CAS Number:
83527-96-2
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
MDL Number:
MFCD06803020
SMILES:
COC(=O)c1ccccc1c1cccc(c1)[N+](=O)[O-]
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
339  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
3.2  

Downstream Synthesis Route

[1]Kenneretal.[Tetrahedron,1957,vol.1,p.259,267]

[1]Makarowaetal.[IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1958,p.1452,1457;engl.Ausg.S.1399,1404]

[1]Kenneretal.[Tetrahedron,1957,vol.1,p.259,267]

[2]Makarowaetal.[IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1958,p.1452,1457;engl.Ausg.S.1399,1404]

[3]Wang,Yang;Gulevich,AntonV.;Gevorgyan,Vladimir[Chemistry-AEuropeanJournal,2013,vol.19,#47,p.15836-15840]

[4]Bera,ShyamalKanti;Mal,Prasenjit[JournalofOrganicChemistry,2021,vol.86,#20,p.14144-14159]

[1]Makarowaetal.[IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1958,p.1452,1457;engl.Ausg.S.1399,1404]

[1]Uehling,DavidE.;Shearer,BarryG.;Donaldson,KellyH.;Chao,EstherY.;Deaton,DavidN.;Adkison,KimK.;Brown,KathleenK.;Cariello,NealF.;Faison,WalterL.;Lancaster,MaryE.;Lin,Jasmine;Hart,Robert;Milliken,TulaO.;Paulik,MarkA.;Sherman,BryanW.;Sugg,ElizabethE.;Cowan,Conrad[JournalofMedicinalChemistry,2006,vol.49,#9,p.2758-2771]

[2]CurrentPatentAssignee:INDIANAUNIVERSITY;ASSEMBLYBIOSCIENCES,INC.-WO2015/138895,2015,A1Locationinpatent:Paragraph000412

[3]Baxendale,IanR.;Griffiths-Jones,CharlotteM.;Ley,StevenV.;Tranmer,GeoffreyK.[Chemistry-AEuropeanJournal,2006,vol.12,#16,p.4407-4416]

Literature
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SDS
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