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Home > Imidazoles > 29981-92-8
29981-92-8 | 1H-Imidazolium, 1-methyl-3-[(4-methylphenyl)sulfonyl]-, chloride
CAS No: 29981-92-8 Catalog No: AG007JW2 MDL No:
Product Description
Catalog Number:
AG007JW2
Chemical Name:
1H-Imidazolium, 1-methyl-3-[(4-methylphenyl)sulfonyl]-, chloride
CAS Number:
29981-92-8
Molecular Formula:
C11H15ClN2O2S
Molecular Weight:
274.7670
IUPAC Name:
1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C11H14N2O2S.ClH/c1-10-3-5-11(6-4-10)16(14,15)13-8-7-12(2)9-13;/h3-8H,9H2,1-2H3;1H
InChI Key:
ZBQPEFIDCWDXHT-UHFFFAOYSA-N
SMILES:
C[NH+]1C=CN(C1)S(=O)(=O)c1ccc(cc1)C.[Cl-]
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.763g/mol
Monoisotopic Mass:
274.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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