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1093215-92-9 | Potassium 2-iodo-5-methylbenzenesulfonate
CAS No: 1093215-92-9 Catalog No: AG003AHL MDL No:
Product Description
Catalog Number:
AG003AHL
Chemical Name:
Potassium 2-iodo-5-methylbenzenesulfonate
CAS Number:
1093215-92-9
Molecular Formula:
C7H6IKO3S
Molecular Weight:
336.1885
IUPAC Name:
potassium;2-iodo-5-methylbenzenesulfonate
InChI:
InChI=1S/C7H7IO3S.K/c1-5-2-3-6(8)7(4-5)12(9,10)11;/h2-4H,1H3,(H,9,10,11);/q;+1/p-1
InChI Key:
LFQHEPUFDZVNHD-UHFFFAOYSA-M
SMILES:
Cc1ccc(c(c1)S(=O)(=O)[O-])I.[K+]
EC Number:
426-300-5
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.872g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.185g/mol
Monoisotopic Mass:
335.872g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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