Home Carboxys Methyl 5-nitro-1h-imidazole-4-carboxylate

Methyl 5-nitro-1h-imidazole-4-carboxylate

CAS No.:
20271-20-9
Catalog Number:
AG0028DO
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥95%
In Stock USA
United States
$248
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Product Description
Catalog Number:
AG0028DO
Chemical Name:
Methyl 5-nitro-1h-imidazole-4-carboxylate
CAS Number:
20271-20-9
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
MDL Number:
MFCD01105422
IUPAC Name:
methyl 5-nitro-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C5H5N3O4/c1-12-5(9)3-4(8(10)11)7-2-6-3/h2H,1H3,(H,6,7)
InChI Key:
YGTWILAKCGDEML-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(nc[nH]1)C(=O)OC
NSC Number:
26494
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.028g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.112g/mol
Monoisotopic Mass:
171.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties