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126691-49-4 | Iodonium, [(octyloxy)phenyl]phenyl- (9CI)
CAS No: 126691-49-4 Catalog No: AG000T3J MDL No:
Product Description
Catalog Number:
AG000T3J
Chemical Name:
Iodonium, [(octyloxy)phenyl]phenyl- (9CI)
CAS Number:
126691-49-4
Molecular Formula:
C20H26IO+
Molecular Weight:
409.3243
IUPAC Name:
(2-octoxyphenyl)-phenyliodanium
InChI:
InChI=1S/C20H26IO/c1-2-3-4-5-6-12-17-22-20-16-11-10-15-19(20)21-18-13-8-7-9-14-18/h7-11,13-16H,2-6,12,17H2,1H3/q+1
InChI Key:
VBXWOQXZPZWRBB-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccccc1[I+]c1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.103g/mol
Formal Charge:
1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.331g/mol
Monoisotopic Mass:
409.103g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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