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Home > Imidazoles > 126664-28-6
126664-28-6 | 2-Butanone, 4-(2-methyl-4-nitro-1H-imidazol-1-yl)-
CAS No: 126664-28-6 Catalog No: AG000T39 MDL No:MFCD00173739
Product Description
Catalog Number:
AG000T39
Chemical Name:
2-Butanone, 4-(2-methyl-4-nitro-1H-imidazol-1-yl)-
CAS Number:
126664-28-6
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
MDL Number:
MFCD00173739
IUPAC Name:
4-(2-methyl-4-nitroimidazol-1-yl)butan-2-one
InChI:
InChI=1S/C8H11N3O3/c1-6(12)3-4-10-5-8(11(13)14)9-7(10)2/h5H,3-4H2,1-2H3
InChI Key:
QVRUZNMMCTUEOM-UHFFFAOYSA-N
SMILES:
CC(=O)CCn1cc(nc1C)[N+](=O)[O-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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