4-(Methylsulfonyl)-2-(trifluoromethyl)phenylboronic acid


Chemical Name: 4-(Methylsulfonyl)-2-(trifluoromethyl)phenylboronic acid
CAS Number: 1072946-16-7
Product Number: AG00380P(AGN-PC-0WA9JW)
Synonyms:
MDL No:
Molecular Formula: C8H8BF3O4S
Molecular Weight: 268.0179

Identification/Properties


Computed Properties
Molecular Weight:
268.013g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
268.019g/mol
Monoisotopic Mass:
268.019g/mol
Topological Polar Surface Area:
83A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
362
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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