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115973-96-1 | Iodonium, (4-chlorophenyl)phenyl-, sulfate (1:1)
CAS No: 115973-96-1 Catalog No: AG000H9F MDL No:
Product Description
Catalog Number:
AG000H9F
Chemical Name:
Iodonium, (4-chlorophenyl)phenyl-, sulfate (1:1)
CAS Number:
115973-96-1
Molecular Formula:
C12H10ClIO4S
Molecular Weight:
412.6279
IUPAC Name:
(4-chlorophenyl)-phenyliodanium;hydrogen sulfate
InChI:
InChI=1S/C12H9ClI.H2O4S/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-5(2,3)4/h1-9H;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
VCMSJICAKXYBSQ-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.Clc1ccc(cc1)[I+]c1ccccc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.903g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.622g/mol
Monoisotopic Mass:
411.903g/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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