(3-ethylsulfonylphenyl)boronic acid


Chemical Name: (3-ethylsulfonylphenyl)boronic acid
CAS Number: 845870-47-5
Product Number: AG003I86(AGN-PC-00Z4W5)
Synonyms:
MDL No: MFCD03095257
Molecular Formula: C8H11BO4S
Molecular Weight: 214.0465

Identification/Properties


Properties
BP:
476.5 °C at 760 mmHg
Storage:
2-8℃;
Computed Properties
Molecular Weight:
214.042g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
214.047g/mol
Monoisotopic Mass:
214.047g/mol
Topological Polar Surface Area:
83A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
270
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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