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14554-95-1 | Iodonium, bis(4-methylphenyl)-, sulfate (1:1)
CAS No: 14554-95-1 Catalog No: AG001D6L MDL No:
Product Description
Catalog Number:
AG001D6L
Chemical Name:
Iodonium, bis(4-methylphenyl)-, sulfate (1:1)
CAS Number:
14554-95-1
Molecular Formula:
C14H15IO4S
Molecular Weight:
406.2360
IUPAC Name:
bis(4-methylphenyl)iodanium;hydrogen sulfate
InChI:
InChI=1S/C14H14I.H2O4S/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-5(2,3)4/h3-10H,1-2H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
MUPVFMYPIYLTGD-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.Cc1ccc(cc1)[I+]c1ccc(cc1)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.974g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.234g/mol
Monoisotopic Mass:
405.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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