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Home > Imidazoles > 30746-54-4
30746-54-4 | 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-methanesulfonate
CAS No: 30746-54-4 Catalog No: AG003148 MDL No:
Product Description
Catalog Number:
AG003148
Chemical Name:
1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-methanesulfonate
CAS Number:
30746-54-4
Molecular Formula:
C7H11N3O5S
Molecular Weight:
249.2443
IUPAC Name:
2-(2-methyl-5-nitroimidazol-1-yl)ethyl methanesulfonate
InChI:
InChI=1S/C7H11N3O5S/c1-6-8-5-7(10(11)12)9(6)3-4-15-16(2,13)14/h5H,3-4H2,1-2H3
InChI Key:
MBLJZGSJLSUHRO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1CCOS(=O)(=O)C)C
EC Number:
250-323-8
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.241g/mol
Monoisotopic Mass:
249.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl methane-sulfonate. | Acta crystallographica. Section E, Structure reports online 20120901 |
| Imidazole derivatives as possible microbicides with dual protection. | European journal of medicinal chemistry 20100201 |
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