4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,5-bis(trifluoromethyl)-1H-pyrazole


Chemical Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,5-bis(trifluoromethyl)-1H-pyrazole
CAS Number: 1204334-20-2
Product Number: AG009LM2(AGN-PC-07TCUV)
Synonyms:
MDL No:
Molecular Formula: C11H13BF6N2O2
Molecular Weight: 330.0345392

Identification/Properties


Computed Properties
Molecular Weight:
330.037g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
1
Exact Mass:
330.097g/mol
Monoisotopic Mass:
330.097g/mol
Topological Polar Surface Area:
47.1A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
423
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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