Home Carboxys 3-Methyl-2-nitro-3h-imidazole-4-carboxylic acid methyl ester

3-Methyl-2-nitro-3h-imidazole-4-carboxylic acid methyl ester

CAS No.:
40361-79-3
Catalog Number:
AG00737E
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
≥ 96% (Assay)
1 week
United States
$162
- +
100mg
≥ 96% (Assay)
1 week
United States
$272
- +
250mg
≥ 96% (Assay)
1 week
United States
$477
- +
Product Description
Catalog Number:
AG00737E
Chemical Name:
3-Methyl-2-nitro-3h-imidazole-4-carboxylic acid methyl ester
CAS Number:
40361-79-3
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
MDL Number:
MFCD06738745
IUPAC Name:
methyl 3-methyl-2-nitroimidazole-4-carboxylate
InChI:
InChI=1S/C6H7N3O4/c1-8-4(5(10)13-2)3-7-6(8)9(11)12/h3H,1-2H3
InChI Key:
BQTWOZOPNUFRHG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncc(n1C)C(=O)OC
NSC Number:
307220
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.044g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.139g/mol
Monoisotopic Mass:
185.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties