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Home > Imidazoles > 71100-56-6
71100-56-6 | 1-(TOLUENE-4-SULFONYL)-4-NITROIMIDAZOLE
CAS No: 71100-56-6 Catalog No: AG005E8W MDL No:
Product Description
Catalog Number:
AG005E8W
Chemical Name:
1-(TOLUENE-4-SULFONYL)-4-NITROIMIDAZOLE
CAS Number:
71100-56-6
Molecular Formula:
C10H9N3O4S
Molecular Weight:
267.2612
IUPAC Name:
1-(4-methylphenyl)sulfonyl-4-nitroimidazole
InChI:
InChI=1S/C10H9N3O4S/c1-8-2-4-9(5-3-8)18(16,17)12-6-10(11-7-12)13(14)15/h2-7H,1H3
InChI Key:
PDGRCWHRWSOPKZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cnc(c1)[N+](=O)[O-]
Properties
Complexity:
406
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:
1.8
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