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94590-80-4 | Iodonium, [4-(1,1-dimethylethyl)phenyl]phenyl-
CAS No: 94590-80-4 Catalog No: AG0069Y1 MDL No:
Product Description
Catalog Number:
AG0069Y1
Chemical Name:
Iodonium, [4-(1,1-dimethylethyl)phenyl]phenyl-
CAS Number:
94590-80-4
Molecular Formula:
C16H18I+
Molecular Weight:
337.2186
IUPAC Name:
(4-tert-butylphenyl)-phenyliodanium
InChI:
InChI=1S/C16H18I/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12H,1-3H3/q+1
InChI Key:
RGXLDQDGZYZGEE-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)[I+]c1ccccc1)(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.045g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.224g/mol
Monoisotopic Mass:
337.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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