[2-(trifluoromethyl)pyrimidin-5-yl]boronic acid


Chemical Name: [2-(trifluoromethyl)pyrimidin-5-yl]boronic acid
CAS Number: 1308298-23-8
Product Number: AG000UZ8(AGN-PC-0ALQOC)
Synonyms:
MDL No:
Molecular Formula: C5H4BF3N2O2
Molecular Weight: 191.9037

Identification/Properties


Computed Properties
Molecular Weight:
191.904g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
192.032g/mol
Monoisotopic Mass:
192.032g/mol
Topological Polar Surface Area:
66.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
170
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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