Boronic acid, [3-(methylthio)phenyl]-


Chemical Name: Boronic acid, [3-(methylthio)phenyl]-
CAS Number: 128312-11-8
Product Number: AG000XYI(AGN-PC-07HAG5)
Synonyms:
MDL No:
Molecular Formula: C7H9BO2S
Molecular Weight: 168.0212

Identification/Properties


Computed Properties
Molecular Weight:
168.017g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
168.042g/mol
Monoisotopic Mass:
168.042g/mol
Topological Polar Surface Area:
65.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
121
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


NMR Spectrum


Other Analytical Data


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