4-Trifluoromethyl-pyridine-3-boronic acid


Chemical Name: 4-Trifluoromethyl-pyridine-3-boronic acid
CAS Number: 947533-41-7
Product Number: AG00IIIJ(AGN-PC-0786LS)
Synonyms:
MDL No:
Molecular Formula: C6H5BF3NO2
Molecular Weight: 190.9156

Identification/Properties


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


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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