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67284-22-4 | Pyridinium, 1-methyl-3-[[(4-methylphenyl)sulfonyl]oxy]-, iodide
CAS No: 67284-22-4 Catalog No: AG005PIF MDL No:
Product Description
Catalog Number:
AG005PIF
Chemical Name:
Pyridinium, 1-methyl-3-[[(4-methylphenyl)sulfonyl]oxy]-, iodide
CAS Number:
67284-22-4
Molecular Formula:
C13H14INO3S
Molecular Weight:
391.2246
IUPAC Name:
(1-methylpyridin-1-ium-3-yl) 4-methylbenzenesulfonate;iodide
InChI:
InChI=1S/C13H14NO3S.HI/c1-11-5-7-13(8-6-11)18(15,16)17-12-4-3-9-14(2)10-12;/h3-10H,1-2H3;1H/q+1;/p-1
InChI Key:
UDFZTNPJXSHEGE-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1ccc[n+](c1)C.[I-]
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.974g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.223g/mol
Monoisotopic Mass:
390.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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