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Home > Imidazoles > 5413-88-7
5413-88-7 | 3-methyl-5-nitro-imidazole-4-carboxamide
CAS No: 5413-88-7 Catalog No: AG00DFFK MDL No:MFCD00707881
Product Description
Catalog Number:
AG00DFFK
Chemical Name:
3-methyl-5-nitro-imidazole-4-carboxamide
CAS Number:
5413-88-7
Molecular Formula:
C5H6N4O3
Molecular Weight:
170.1261
MDL Number:
MFCD00707881
IUPAC Name:
3-methyl-5-nitroimidazole-4-carboxamide
InChI:
InChI=1S/C5H6N4O3/c1-8-2-7-5(9(11)12)3(8)4(6)10/h2H,1H3,(H2,6,10)
InChI Key:
QUARTNVPDGQVMK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(c1C(=O)N)C
NSC Number:
7856
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.128g/mol
Monoisotopic Mass:
170.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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