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89563-26-8 | Iodonium, (2-hydroxy-3,5-dinitrophenyl)phenyl-, chloride
CAS No: 89563-26-8 Catalog No: AG0086R9 MDL No:
Product Description
Catalog Number:
AG0086R9
Chemical Name:
Iodonium, (2-hydroxy-3,5-dinitrophenyl)phenyl-, chloride
CAS Number:
89563-26-8
Molecular Formula:
C12H8ClIN2O5
Molecular Weight:
422.5598
IUPAC Name:
(2-hydroxy-3,5-dinitrophenyl)-phenyliodanium;chloride
InChI:
InChI=1S/C12H7IN2O5.ClH/c16-12-10(13-8-4-2-1-3-5-8)6-9(14(17)18)7-11(12)15(19)20;/h1-7H;1H
InChI Key:
CICKEWQHNLHYOU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([I+]c2ccccc2)c(c(c1)[N+](=O)[O-])O.[Cl-]
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.917g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.559g/mol
Monoisotopic Mass:
421.917g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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