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51060-12-9 | 1H-Imidazolium, 1,2-dimethyl-3-[(4-methylphenyl)sulfonyl]-, chloride
CAS No: 51060-12-9 Catalog No: AG006TZU MDL No:
Product Description
Catalog Number:
AG006TZU
Chemical Name:
1H-Imidazolium, 1,2-dimethyl-3-[(4-methylphenyl)sulfonyl]-, chloride
CAS Number:
51060-12-9
Molecular Formula:
C12H17ClN2O2S
Molecular Weight:
288.7936
IUPAC Name:
1,2-dimethyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C12H16N2O2S.ClH/c1-10-4-6-12(7-5-10)17(15,16)14-9-8-13(3)11(14)2;/h4-9,11H,1-3H3;1H
InChI Key:
YJLUAJHRSMJCOB-UHFFFAOYSA-N
SMILES:
C[NH+]1C=CN(C1C)S(=O)(=O)c1ccc(cc1)C.[Cl-]
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.79g/mol
Monoisotopic Mass:
288.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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