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158637-02-6 | Iodonium, [4-(octyloxy)phenyl]phenyl-, chloride (1:1)
CAS No: 158637-02-6 Catalog No: AG001QDJ MDL No:
Product Description
Catalog Number:
AG001QDJ
Chemical Name:
Iodonium, [4-(octyloxy)phenyl]phenyl-, chloride (1:1)
CAS Number:
158637-02-6
Molecular Formula:
C20H26ClIO
Molecular Weight:
444.7773
IUPAC Name:
(4-octoxyphenyl)-phenyliodanium;chloride
InChI:
InChI=1S/C20H26IO.ClH/c1-2-3-4-5-6-10-17-22-20-15-13-19(14-16-20)21-18-11-8-7-9-12-18;/h7-9,11-16H,2-6,10,17H2,1H3;1H/q+1;/p-1
InChI Key:
HXPCMDDFGZOQRH-UHFFFAOYSA-M
SMILES:
CCCCCCCCOc1ccc(cc1)[I+]c1ccccc1.[Cl-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.072g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.781g/mol
Monoisotopic Mass:
444.072g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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