[3,4-bis(trifluoromethyl)phenyl]boronic acid


Chemical Name: [3,4-bis(trifluoromethyl)phenyl]boronic acid
CAS Number: 1204745-88-9
Product Number: AG007PXU(AGN-PC-09MP1A)
Synonyms:
MDL No:
Molecular Formula: C8H5BF6O2
Molecular Weight: 257.9255

Identification/Properties


Computed Properties
Molecular Weight:
257.926g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
1
Exact Mass:
258.029g/mol
Monoisotopic Mass:
258.029g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
264
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-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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