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75770-80-8 | 1H-Imidazolium, 1-methyl-3-[(4-methylphenyl)sulfonyl]-
CAS No: 75770-80-8 Catalog No: AG005IET MDL No:
Product Description
Catalog Number:
AG005IET
Chemical Name:
1H-Imidazolium, 1-methyl-3-[(4-methylphenyl)sulfonyl]-
CAS Number:
75770-80-8
Molecular Formula:
C11H15N2O2S+
Molecular Weight:
239.3140
IUPAC Name:
1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium
InChI:
InChI=1S/C11H14N2O2S/c1-10-3-5-11(6-4-10)16(14,15)13-8-7-12(2)9-13/h3-8H,9H2,1-2H3/p+1
InChI Key:
NRKBXYBVELMLGS-UHFFFAOYSA-O
SMILES:
C[NH+]1C=CN(C1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.085g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.313g/mol
Monoisotopic Mass:
239.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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