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139301-14-7 | Iodonium, [4-[(2-hydroxytetradecyl)oxy]phenyl]phenyl-
CAS No: 139301-14-7 Catalog No: AG001APB MDL No:
Product Description
Catalog Number:
AG001APB
Chemical Name:
Iodonium, [4-[(2-hydroxytetradecyl)oxy]phenyl]phenyl-
CAS Number:
139301-14-7
Molecular Formula:
C26H38IO2+
Molecular Weight:
509.4832
IUPAC Name:
hexafluoroantimony(1-);[3-(2-hydroxytetradecoxy)phenyl]-phenyliodanium
InChI:
InChI=1S/C26H38IO2.6FH.Sb/c1-2-3-4-5-6-7-8-9-10-14-19-25(28)22-29-26-20-15-18-24(21-26)27-23-16-12-11-13-17-23;;;;;;;/h11-13,15-18,20-21,25,28H,2-10,14,19,22H2,1H3;6*1H;/q+1;;;;;;;+5/p-6
InChI Key:
OSEIMDNVOZVUJA-UHFFFAOYSA-H
SMILES:
CCCCCCCCCCCCC(COc1ccc(cc1)[I+]c1ccccc1)O
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
744.086g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
745.243g/mol
Monoisotopic Mass:
744.086g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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