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71254-71-2,MFCD09746194
Catalog No.:AA00FC8B

71254-71-2 | ethyl 4-(methylamino)-3-nitrobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$15.00   $11.00
- +
5g
98%
in stock  
$43.00   $31.00
- +
25g
98%
in stock  
$146.00   $102.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00FC8B
Chemical Name:
ethyl 4-(methylamino)-3-nitrobenzoate
CAS Number:
71254-71-2
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD09746194
SMILES:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NC
Properties
Computed Properties
 
Complexity:
264  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Upstream Synthesis Route

[1]Patent:US2013/79306,2013,A1,.Locationinpatent:Paragraph0230;0231;0232;0233

[1]RSCAdvances,2016,vol.6,#10,p.8303-8316

[2]IndianJournalofHeterocyclicChemistry,2018,vol.28,#3,p.415-422

[1]RSCAdvances,2016,vol.6,#10,p.8303-8316

[2]IndianJournalofHeterocyclicChemistry,2018,vol.28,#3,p.415-422

[1]Patent:US2013/79306,2013,A1,

[1]JournalfuerPraktischeChemie(Leipzig),1891,vol.<2>43,p.464

Downstream Synthesis Route

[1]ChemischeBerichte,1904,vol.37,p.1029

[1]JournalfurpraktischeChemie(Leipzig1954),1891,vol.<2>43,p.464

[1]JournalfurpraktischeChemie(Leipzig1954),1891,vol.<2>43,p.464

[1]Patent:US2013/79306,2013,A1.Locationinpatent:Paragraph0234;0235;0236;0237

[2]Patent:DD133810,1979,    Chem.Abstr.,vol.89

Literature
Quotation Request
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Quantity Required:
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Additional Info:
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SDS
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Tags:71254-71-2 Molecular Formula|71254-71-2 MDL|71254-71-2 SMILES|71254-71-2 ethyl 4-(methylamino)-3-nitrobenzoate
Catalog No.: AA00FC8B
71254-71-2,MFCD09746194
71254-71-2 | ethyl 4-(methylamino)-3-nitrobenzoate
Pack Size： 1g
Purity： 98%
in stock
$15.00 $11.00
Pack Size： 5g
Purity： 98%
in stock
$43.00 $31.00
Pack Size： 25g
Purity： 98%
in stock
$146.00 $102.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00FC8B
Chemical Name: ethyl 4-(methylamino)-3-nitrobenzoate
CAS Number: 71254-71-2
Molecular Formula: C10H12N2O4
Molecular Weight: 224.2133
MDL Number: MFCD09746194
SMILES: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NC
Properties
Complexity: 264  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Upstream Synthesis Route
367-80-6    74-89-5    71254-71-2 

[1]Patent:US2013/79306,2013,A1,.Locationinpatent:Paragraph0230;0231;0232;0233

16588-16-2    74-89-5    71254-71-2 

[1]RSCAdvances,2016,vol.6,#10,p.8303-8316

[2]IndianJournalofHeterocyclicChemistry,2018,vol.28,#3,p.415-422

96-99-1    71254-71-2 

[1]RSCAdvances,2016,vol.6,#10,p.8303-8316

[2]IndianJournalofHeterocyclicChemistry,2018,vol.28,#3,p.415-422

453-71-4    71254-71-2 

[1]Patent:US2013/79306,2013,A1,

937625-32-6    74-89-5    71254-71-2 

[1]JournalfuerPraktischeChemie(Leipzig),1891,vol.<2>43,p.464

Downstream Synthesis Route
64-17-5    41263-74-5    71254-71-2 

[1]ChemischeBerichte,1904,vol.37,p.1029

71254-71-2    41263-74-5 

[1]JournalfurpraktischeChemie(Leipzig1954),1891,vol.<2>43,p.464

937625-32-6    74-89-5    71254-71-2 

[1]JournalfurpraktischeChemie(Leipzig1954),1891,vol.<2>43,p.464

71254-71-2    66315-23-9 

[1]Patent:US2013/79306,2013,A1.Locationinpatent:Paragraph0234;0235;0236;0237

[2]Patent:DD133810,1979,    Chem.Abstr.,vol.89

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