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Home > Imidazoles > 105613-77-2
105613-77-2 | 1H-Imidazolium, 1-methyl-3-[(2,4,6-tripropylphenyl)sulfonyl]-, chloride
CAS No: 105613-77-2 Catalog No: AG007E6I MDL No:
Product Description
Catalog Number:
AG007E6I
Chemical Name:
1H-Imidazolium, 1-methyl-3-[(2,4,6-tripropylphenyl)sulfonyl]-, chloride
CAS Number:
105613-77-2
Molecular Formula:
C19H31ClN2O2S
Molecular Weight:
386.9796
IUPAC Name:
1-methyl-3-(2,4,6-tripropylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C19H30N2O2S.ClH/c1-5-8-16-13-17(9-6-2)19(18(14-16)10-7-3)24(22,23)21-12-11-20(4)15-21;/h11-14H,5-10,15H2,1-4H3;1H
InChI Key:
HIRKISYDZRQJRE-UHFFFAOYSA-N
SMILES:
CCCc1cc(CCC)cc(c1S(=O)(=O)N1C=C[NH+](C1)C)CCC.[Cl-]
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.179g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.979g/mol
Monoisotopic Mass:
386.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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