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107558-26-9,MFCD20529487
Catalog No.:AA0084IR

107558-26-9 | Methyl 3-(4-nitrophenyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$107.00   $75.00
- +
5g
98%
in stock  
$297.00 $208.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0084IR
Chemical Name:
Methyl 3-(4-nitrophenyl)benzoate
CAS Number:
107558-26-9
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
MDL Number:
MFCD20529487
SMILES:
COC(=O)c1cccc(c1)c1ccc(cc1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
331  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Downstream Synthesis Route

[1]Tetrahedron,2007,vol.63,p.10596-10602

[1]Venkatraj,Muthusamy;Messagie,Jonas;Joossens,Jurgen;Lambeir,Anne-Marie;Haemers,Achiel;VanDerVeken,Pieter;Augustyns,Koen[BioorganicandMedicinalChemistry,2012,vol.20,#4,p.1557-1568]

[1]Chiarelli,LaurentR.;Mori,Matteo;Barlocco,Daniela;Beretta,Giangiacomo;Gelain,Arianna;Pini,Elena;Porcino,Marianna;Mori,Giorgia;Stelitano,Giovanni;Costantino,Luca;Lapillo,Margherita;Bonanni,Davide;Poli,Giulio;Tuccinardi,Tiziano;Villa,Stefania;Meneghetti,Fiorella[EuropeanJournalofMedicinalChemistry,2018,vol.155,p.754-763]

Literature
Quotation Request
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SDS
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Tags:107558-26-9 Molecular Formula|107558-26-9 MDL|107558-26-9 SMILES|107558-26-9 Methyl 3-(4-nitrophenyl)benzoate
Catalog No.: AA0084IR
107558-26-9,MFCD20529487
107558-26-9 | Methyl 3-(4-nitrophenyl)benzoate
Pack Size： 1g
Purity： 98%
in stock
$107.00 $75.00
Pack Size： 5g
Purity： 98%
in stock
$297.00 $208.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0084IR
Chemical Name: Methyl 3-(4-nitrophenyl)benzoate
CAS Number: 107558-26-9
Molecular Formula: C14H11NO4
Molecular Weight: 257.2414
MDL Number: MFCD20529487
SMILES: COC(=O)c1cccc(c1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity: 331  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Downstream Synthesis Route
480425-35-2    586-78-7    107558-26-9 

[1]Tetrahedron,2007,vol.63,p.10596-10602

67-56-1    729-01-1    107558-26-9 

[1]Venkatraj,Muthusamy;Messagie,Jonas;Joossens,Jurgen;Lambeir,Anne-Marie;Haemers,Achiel;VanDerVeken,Pieter;Augustyns,Koen[BioorganicandMedicinalChemistry,2012,vol.20,#4,p.1557-1568]

107558-26-9    729-01-1 

[1]Chiarelli,LaurentR.;Mori,Matteo;Barlocco,Daniela;Beretta,Giangiacomo;Gelain,Arianna;Pini,Elena;Porcino,Marianna;Mori,Giorgia;Stelitano,Giovanni;Costantino,Luca;Lapillo,Margherita;Bonanni,Davide;Poli,Giulio;Tuccinardi,Tiziano;Villa,Stefania;Meneghetti,Fiorella[EuropeanJournalofMedicinalChemistry,2018,vol.155,p.754-763]

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