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212189-48-5,MFCD00416158
Catalog No.:AA00I3ZL

212189-48-5 | Methyl 3-(4-nitrophenoxy)benzoate

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Purity
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1g
98%
in stock  
$95.00   $67.00
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5g
98%
in stock  
$261.00   $183.00
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25g
98%
in stock  
$809.00   $567.00
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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:
AA00I3ZL
Chemical Name:
Methyl 3-(4-nitrophenoxy)benzoate
CAS Number:
212189-48-5
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
MDL Number:
MFCD00416158
SMILES:
COC(=O)c1cccc(c1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
346  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
4  
XLogP3:
3.4  

Downstream Synthesis Route

[1]AngewandteChemie-InternationalEdition,2013,vol.52,p.8551-8556    Angew.Chem.,2013,vol.125,p.8713-8718,6

[2]JournalofMedicinalChemistry,2019,vol.62,p.4669-4682

[3]ArchivesofPharmacalResearch,2012,vol.35,p.1723-1732

[4]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1954,vol.74,p.1065,1067    Chem.Abstr.,1955,p.11592

[5]BioorganicandMedicinalChemistryLetters,1997,vol.7,p.1345-1348

[1]ArchivesofPharmacalResearch,2012,vol.35,p.1723-1732

[2]AngewandteChemie-InternationalEdition,2013,vol.52,p.8551-8556    Angew.Chem.,2013,vol.125,p.8713-8718,6

[3]JournalofMedicinalChemistry,2019,vol.62,p.4669-4682

[4]BioorganicandMedicinalChemistryLetters,1997,vol.7,p.1345-1348

212189-48-5   
3-4-((R)-2-Amino-3-mercapto-propylamino)-phenoxy-benzoicacid 

[1]BioorganicandMedicinalChemistryLetters,1997,vol.7,p.1345-1348

212189-48-5   
3-4-((R)-2-Amino-3-mercapto-propylamino)-phenoxy-benzoicacidmethylester 

[1]BioorganicandMedicinalChemistryLetters,1997,vol.7,p.1345-1348

Literature
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