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27126-76-7 | [Hydroxy(tosyloxy)iodo]benzene
CAS No: 27126-76-7 Catalog No: AG0032I5 MDL No:MFCD00011547
Product Description
Catalog Number:
AG0032I5
Chemical Name:
[Hydroxy(tosyloxy)iodo]benzene
CAS Number:
27126-76-7
Molecular Formula:
C13H13IO4S
Molecular Weight:
392.2094
MDL Number:
MFCD00011547
IUPAC Name:
[hydroxy(phenyl)-λ3-iodanyl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H13IO4S/c1-11-7-9-13(10-8-11)19(16,17)18-14(15)12-5-3-2-4-6-12/h2-10,15H,1H3
InChI Key:
LRIUKPUCKCECPT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O[I](c1ccccc1)O
UNII:
2EOA97B14A
NSC Number:
294176
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.958g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.207g/mol
Monoisotopic Mass:
391.958g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Synthesis of isoxazoline N-oxides via [hydroxy(tosyloxy)iodo]benzene (HTIB)-mediated oxidative N-O coupling. | The Journal of organic chemistry 20110121 |
| Application of [hydroxy(tosyloxy)iodo]benzene in the Wittig-ring expansion sequence for the synthesis of beta-benzocyclo-alkenones from alpha-benzocycloalkenones. | Molecules (Basel, Switzerland) 20050131 |
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