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123222-68-4 | Iodonium, bis[3-(chlorocarbonyl)-4-methylphenyl]-, sulfate (1:1)
CAS No: 123222-68-4 Catalog No: AG000K6H MDL No:
Product Description
Catalog Number:
AG000K6H
Chemical Name:
Iodonium, bis[3-(chlorocarbonyl)-4-methylphenyl]-, sulfate (1:1)
CAS Number:
123222-68-4
Molecular Formula:
C16H13Cl2IO6S
Molecular Weight:
531.1463
IUPAC Name:
bis(3-carbonochloridoyl-4-methylphenyl)iodanium;hydrogen sulfate
InChI:
InChI=1S/C16H12Cl2IO2.H2O4S/c1-9-3-5-11(7-13(9)15(17)20)19-12-6-4-10(2)14(8-12)16(18)21;1-5(2,3)4/h3-8H,1-2H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
YPHFDBZDRYNBJQ-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.ClC(=O)c1cc(ccc1C)[I+]c1ccc(c(c1)C(=O)Cl)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.885g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
531.138g/mol
Monoisotopic Mass:
529.885g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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