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50700-55-5,MFCD19443277
Catalog No.:AA00DB03

50700-55-5 | 1-Methyl-2-nitro-1h-imidazole-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
>98%
in stock  
$258.00   $181.00
- +
250mg
>98%
in stock  
$370.00   $259.00
- +
1g
>98%
in stock  
$909.00   $637.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DB03
Chemical Name:
1-Methyl-2-nitro-1h-imidazole-5-carboxylic acid
CAS Number:
50700-55-5
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
MDL Number:
MFCD19443277
SMILES:
[O-][N+](=O)c1ncc(n1C)C(=O)O
Properties
Computed Properties
 
Complexity:
213  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.2  

Downstream Synthesis Route

[1]ChemMedChem,2016,vol.11,p.2410-2421

[2]Tetrahedron,2000,vol.56,p.645-657

[3]BioorganicandMedicinalChemistryLetters,1999,vol.9,p.2237-2242

[4]Patent:WO2007/2931,2007,A2.Locationinpatent:Page/Pagecolumn143

[5]Patent:WO2016/11195,2016,A1.Locationinpatent:Paragraph0053;0101

[6]Patent:EP2671581,2019,B1.Locationinpatent:Paragraph0021-00214

Literature
Quotation Request
Company Name:
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Contact Person:
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Email:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:50700-55-5 Molecular Formula|50700-55-5 MDL|50700-55-5 SMILES|50700-55-5 1-Methyl-2-nitro-1h-imidazole-5-carboxylic acid
Catalog No.: AA00DB03
50700-55-5,MFCD19443277
50700-55-5 | 1-Methyl-2-nitro-1h-imidazole-5-carboxylic acid
Pack Size： 100mg
Purity： >98%
in stock
$258.00 $181.00
Pack Size： 250mg
Purity： >98%
in stock
$370.00 $259.00
Pack Size： 1g
Purity： >98%
in stock
$909.00 $637.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DB03
Chemical Name: 1-Methyl-2-nitro-1h-imidazole-5-carboxylic acid
CAS Number: 50700-55-5
Molecular Formula: C5H5N3O4
Molecular Weight: 171.1109
MDL Number: MFCD19443277
SMILES: [O-][N+](=O)c1ncc(n1C)C(=O)O
Properties
Complexity: 213  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.2  
Downstream Synthesis Route
50700-55-5    39070-14-9 

[1]ChemMedChem,2016,vol.11,p.2410-2421

[2]Tetrahedron,2000,vol.56,p.645-657

[3]BioorganicandMedicinalChemistryLetters,1999,vol.9,p.2237-2242

[4]Patent:WO2007/2931,2007,A2.Locationinpatent:Page/Pagecolumn143

[5]Patent:WO2016/11195,2016,A1.Locationinpatent:Paragraph0053;0101

[6]Patent:EP2671581,2019,B1.Locationinpatent:Paragraph0021-00214

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