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67284-21-3 | Pyridinium, 1-methyl-3-[(phenylsulfonyl)oxy]-, iodide
CAS No: 67284-21-3 Catalog No: AG005PIG MDL No:
Product Description
Catalog Number:
AG005PIG
Chemical Name:
Pyridinium, 1-methyl-3-[(phenylsulfonyl)oxy]-, iodide
CAS Number:
67284-21-3
Molecular Formula:
C12H12INO3S
Molecular Weight:
377.1981
IUPAC Name:
(1-methylpyridin-1-ium-3-yl) benzenesulfonate;iodide
InChI:
InChI=1S/C12H12NO3S.HI/c1-13-9-5-6-11(10-13)16-17(14,15)12-7-3-2-4-8-12;/h2-10H,1H3;1H/q+1;/p-1
InChI Key:
IPPHJUHGESHKSB-UHFFFAOYSA-M
SMILES:
C[n+]1cccc(c1)OS(=O)(=O)c1ccccc1.[I-]
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.958g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.196g/mol
Monoisotopic Mass:
376.958g/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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