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735-40-0,MFCD00239175
Catalog No.:AA003PYP

735-40-0 | Ethyl 2-(2-nitro-4-trifluoromethylphenylamino)acetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$75.00   $53.00
- +
5g
96%
in stock  
$202.00   $142.00
- +
25g
96%
in stock  
$583.00 $408.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003PYP
Chemical Name:
Ethyl 2-(2-nitro-4-trifluoromethylphenylamino)acetate
CAS Number:
735-40-0
Molecular Formula:
C11H11F3N2O4
Molecular Weight:
292.2112
MDL Number:
MFCD00239175
SMILES:
CCOC(=O)CNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
357  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartXu,Bailing;Sun,Yan;Guo,Ying;Cao,Yingli;Yu,Tao[BioorganicandMedicinalChemistry,2009,vol.17,#7,p.2767-2774]

[1]Locationinpatent:experimentalpartXu,Bailing;Sun,Yan;Guo,Ying;Cao,Yingli;Yu,Tao[BioorganicandMedicinalChemistry,2009,vol.17,#7,p.2767-2774]

[2]Fiala,Tomas;Wang,Jihang;Dunn,Matthew;Šebej,Peter;Choi,SeJoon;Nwadibia,EkeomaC.;Fialova,Eva;Martinez,DianaM.;Cheetham,ClaireE.;Fogle,KeriJ.;Palladino,MichaelJ.;Freyberg,Zachary;Sulzer,David;Sames,Dalibor[JournaloftheAmericanChemicalSociety,2020,vol.142,#20,p.9285-9301]

[1]Fiala,Tomas;Wang,Jihang;Dunn,Matthew;Šebej,Peter;Choi,SeJoon;Nwadibia,EkeomaC.;Fialova,Eva;Martinez,DianaM.;Cheetham,ClaireE.;Fogle,KeriJ.;Palladino,MichaelJ.;Freyberg,Zachary;Sulzer,David;Sames,Dalibor[JournaloftheAmericanChemicalSociety,2020,vol.142,#20,p.9285-9301]

[1]Fiala,Tomas;Wang,Jihang;Dunn,Matthew;Šebej,Peter;Choi,SeJoon;Nwadibia,EkeomaC.;Fialova,Eva;Martinez,DianaM.;Cheetham,ClaireE.;Fogle,KeriJ.;Palladino,MichaelJ.;Freyberg,Zachary;Sulzer,David;Sames,Dalibor[JournaloftheAmericanChemicalSociety,2020,vol.142,#20,p.9285-9301]

Literature
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SDS
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Tags:735-40-0 Molecular Formula|735-40-0 MDL|735-40-0 SMILES|735-40-0 Ethyl 2-(2-nitro-4-trifluoromethylphenylamino)acetate
Catalog No.: AA003PYP
735-40-0,MFCD00239175
735-40-0 | Ethyl 2-(2-nitro-4-trifluoromethylphenylamino)acetate
Pack Size： 1g
Purity： 96%
in stock
$75.00 $53.00
Pack Size： 5g
Purity： 96%
in stock
$202.00 $142.00
Pack Size： 25g
Purity： 96%
in stock
$583.00 $408.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003PYP
Chemical Name: Ethyl 2-(2-nitro-4-trifluoromethylphenylamino)acetate
CAS Number: 735-40-0
Molecular Formula: C11H11F3N2O4
Molecular Weight: 292.2112
MDL Number: MFCD00239175
SMILES: CCOC(=O)CNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Storage: Keep in dry area;2-8℃;  
Complexity: 357  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Downstream Synthesis Route
735-40-0    716-81-4 

[1]Locationinpatent:experimentalpartXu,Bailing;Sun,Yan;Guo,Ying;Cao,Yingli;Yu,Tao[BioorganicandMedicinalChemistry,2009,vol.17,#7,p.2767-2774]

623-33-6    121-17-5    735-40-0 

[1]Locationinpatent:experimentalpartXu,Bailing;Sun,Yan;Guo,Ying;Cao,Yingli;Yu,Tao[BioorganicandMedicinalChemistry,2009,vol.17,#7,p.2767-2774]

[2]Fiala,Tomas;Wang,Jihang;Dunn,Matthew;Šebej,Peter;Choi,SeJoon;Nwadibia,EkeomaC.;Fialova,Eva;Martinez,DianaM.;Cheetham,ClaireE.;Fogle,KeriJ.;Palladino,MichaelJ.;Freyberg,Zachary;Sulzer,David;Sames,Dalibor[JournaloftheAmericanChemicalSociety,2020,vol.142,#20,p.9285-9301]

735-40-0    4755-77-5    201357-99-5 

[1]Fiala,Tomas;Wang,Jihang;Dunn,Matthew;Šebej,Peter;Choi,SeJoon;Nwadibia,EkeomaC.;Fialova,Eva;Martinez,DianaM.;Cheetham,ClaireE.;Fogle,KeriJ.;Palladino,MichaelJ.;Freyberg,Zachary;Sulzer,David;Sames,Dalibor[JournaloftheAmericanChemicalSociety,2020,vol.142,#20,p.9285-9301]

735-40-0    201358-00-1 

[1]Fiala,Tomas;Wang,Jihang;Dunn,Matthew;Šebej,Peter;Choi,SeJoon;Nwadibia,EkeomaC.;Fialova,Eva;Martinez,DianaM.;Cheetham,ClaireE.;Fogle,KeriJ.;Palladino,MichaelJ.;Freyberg,Zachary;Sulzer,David;Sames,Dalibor[JournaloftheAmericanChemicalSociety,2020,vol.142,#20,p.9285-9301]

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