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67578-23-8 | Iodonium, bis[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenyl]-, sulfate(1:1)
CAS No: 67578-23-8 Catalog No: AG005ZL2 MDL No:
Product Description
Catalog Number:
AG005ZL2
Chemical Name:
Iodonium, bis[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenyl]-, sulfate(1:1)
CAS Number:
67578-23-8
Molecular Formula:
C20H13IN2O8S
Molecular Weight:
568.2953
IUPAC Name:
bis[4-(2,5-dioxopyrrol-1-yl)phenyl]iodanium;hydrogen sulfate
InChI:
InChI=1S/C20H12IN2O4.H2O4S/c24-17-9-10-18(25)22(17)15-5-1-13(2-6-15)21-14-3-7-16(8-4-14)23-19(26)11-12-20(23)27;1-5(2,3)4/h1-12H;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
AFSMEZVBQNJBFT-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.O=C1C=CC(=O)N1c1ccc(cc1)[I+]c1ccc(cc1)N1C(=O)C=CC1=O
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
567.944g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
568.294g/mol
Monoisotopic Mass:
567.944g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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