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Home > Imidazoles > 858513-51-6
858513-51-6 | N,1-Dimethyl-4-nitro-5-imidazolecarboxamide
CAS No: 858513-51-6 Catalog No: AG004O7Y MDL No:MFCD00708147
Product Description
Catalog Number:
AG004O7Y
Chemical Name:
N,1-Dimethyl-4-nitro-5-imidazolecarboxamide
CAS Number:
858513-51-6
Molecular Formula:
C6H8N4O3
Molecular Weight:
184.1527
MDL Number:
MFCD00708147
IUPAC Name:
N,3-dimethyl-5-nitroimidazole-4-carboxamide
InChI:
InChI=1S/C6H8N4O3/c1-7-6(11)4-5(10(12)13)8-3-9(4)2/h3H,1-2H3,(H,7,11)
InChI Key:
GLXVFUGWBOEJPQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(c1C(=O)NC)C
NSC Number:
514770
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.155g/mol
Monoisotopic Mass:
184.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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