[2-(trifluoromethyl)pyridin-4-yl]boronic acid


Chemical Name: [2-(trifluoromethyl)pyridin-4-yl]boronic acid
CAS Number: 1093407-58-9
Product Number: AG003BKA(AGN-PC-07B7C9)
Synonyms:
MDL No:
Molecular Formula: C6H5BF3NO2
Molecular Weight: 190.9156

Identification/Properties


Properties
BP:
285°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
190.916g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
191.037g/mol
Monoisotopic Mass:
191.037g/mol
Topological Polar Surface Area:
53.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
176
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


PNMR/2-TRIFLUOROMETHYLPYRIDINE-4-BORONIC_ACID-1093407-58-9-hnmr.pdf

Other Analytical Data


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