3-Methanesulfinylphenylboronic acid, pinacol ester


Chemical Name: 3-Methanesulfinylphenylboronic acid, pinacol ester
CAS Number: 1416367-04-8
Product Number: AG001GR5(AGN-PC-0WA8RZ)
Synonyms:
MDL No:
Molecular Formula: C13H19BO3S
Molecular Weight: 266.1642

Identification/Properties


Computed Properties
Molecular Weight:
266.162g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
266.115g/mol
Monoisotopic Mass:
266.115g/mol
Topological Polar Surface Area:
54.7A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
327
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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