(2-methylsulfinylphenyl)boronic acid


Chemical Name: (2-methylsulfinylphenyl)boronic acid
CAS Number: 850567-97-4
Product Number: AG004PCA(AGN-PC-0KKVI3)
Synonyms:
MDL No: MFCD03095261
Molecular Formula: C7H9BO3S
Molecular Weight: 184.0206

Identification/Properties


Properties
MP:
118-122 °C
BP:
440.5 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
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:
174
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#:
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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