B-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-boronic acid


Chemical Name: B-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-boronic acid
CAS Number: 1138450-30-2
Product Number: AG0009VA(AGN-PC-0WALD7)
Synonyms:
MDL No:
Molecular Formula: C5H6BF3N2O2
Molecular Weight: 193.9195

Identification/Properties


Properties
BP:
318.5±52.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
193.92g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
194.047g/mol
Monoisotopic Mass:
194.047g/mol
Topological Polar Surface Area:
58.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
189
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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