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Home > Imidazoles > 80348-54-5
80348-54-5 | 5-(benzenesulfonyl)-1-methyl-4-nitro-imidazole
CAS No: 80348-54-5 Catalog No: AG005BHS MDL No:
Product Description
Catalog Number:
AG005BHS
Chemical Name:
5-(benzenesulfonyl)-1-methyl-4-nitro-imidazole
CAS Number:
80348-54-5
Molecular Formula:
C10H9N3O4S
Molecular Weight:
267.2612
IUPAC Name:
5-(benzenesulfonyl)-1-methyl-4-nitroimidazole
InChI:
InChI=1S/C10H9N3O4S/c1-12-7-11-9(13(14)15)10(12)18(16,17)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
RROUABPKRUXIBP-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1S(=O)(=O)c1ccccc1)[N+](=O)[O-]
NSC Number:
321271
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.259g/mol
Monoisotopic Mass:
267.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and in-vitro antibacterial activity of 5-substituted 1-methyl-4-nitro-1H-imidazoles. | Archiv der Pharmazie 20080801 |
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