[hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate


Chemical Name: [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate
CAS Number: 27126-76-7
Product Number: AG0032I5(AGN-PC-0JM46J)
Synonyms:
MDL No: MFCD00011547
Molecular Formula: C13H13IO4S
Molecular Weight: 392.2094

Identification/Properties


Properties
MP:
131-137 °C(lit.);
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Light Sensitive
Computed Properties
Molecular Weight:
392.207g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
391.958g/mol
Monoisotopic Mass:
391.958g/mol
Topological Polar Surface Area:
72A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
365
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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