Boronic acid, [4-(methylsulfinyl)phenyl]-


Chemical Name: Boronic acid, [4-(methylsulfinyl)phenyl]-
CAS Number: 166386-48-7
Product Number: AG001WP0(AGN-PC-0KKVI5)
Synonyms:
MDL No:
Molecular Formula: C7H9BO3S
Molecular Weight: 184.0206

Identification/Properties


Computed Properties
Molecular Weight:
184.016g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
184.037g/mol
Monoisotopic Mass:
184.037g/mol
Topological Polar Surface Area:
76.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
166
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:
H315-H319-H335
Precautionary Statements:
P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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