Home Carboxys Ethyl 1-methyl-5-nitroimidazole-2-carboxylate

Ethyl 1-methyl-5-nitroimidazole-2-carboxylate

CAS No.:
39070-13-8
Catalog Number:
AG00CMSW
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$182
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Product Description
Catalog Number:
AG00CMSW
Chemical Name:
Ethyl 1-methyl-5-nitroimidazole-2-carboxylate
CAS Number:
39070-13-8
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
MDL Number:
MFCD17926380
IUPAC Name:
ethyl 3-methyl-2-nitroimidazole-4-carboxylate
InChI:
InChI=1S/C7H9N3O4/c1-3-14-6(11)5-4-8-7(9(5)2)10(12)13/h4H,3H2,1-2H3
InChI Key:
VRARWXJAWCRJCX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncc(n1C)C(=O)OCC
NSC Number:
313398
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties