Boronic acid, 1H-pyrazol-3-yl-


Chemical Name: Boronic acid, 1H-pyrazol-3-yl-
CAS Number: 376584-63-3
Product Number: AG003U1W(AGN-PC-0O9HFK)
Synonyms:
MDL No:
Molecular Formula: C3H5BN2O2
Molecular Weight: 111.8950

Identification/Properties


Properties
MP:
85-88°C
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
111.895g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
112.044g/mol
Monoisotopic Mass:
112.044g/mol
Topological Polar Surface Area:
69.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
79.7
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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