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94852-29-6 | Iodonium, (2-benzoylphenyl)phenyl-, sulfate (1:1)
CAS No: 94852-29-6 Catalog No: AG006RBB MDL No:
Product Description
Catalog Number:
AG006RBB
Chemical Name:
Iodonium, (2-benzoylphenyl)phenyl-, sulfate (1:1)
CAS Number:
94852-29-6
Molecular Formula:
C19H15IO5S
Molecular Weight:
482.2889
IUPAC Name:
(2-benzoylphenyl)-phenyliodanium;hydrogen sulfate
InChI:
InChI=1S/C19H14IO.H2O4S/c21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20-16-11-5-2-6-12-16;1-5(2,3)4/h1-14H;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
ZYTANLCSCSIUQR-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.O=C(c1ccccc1[I+]c1ccccc1)c1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.968g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
482.288g/mol
Monoisotopic Mass:
481.968g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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