Boronic acid, 5-pyrimidinyl-


Chemical Name: Boronic acid, 5-pyrimidinyl-
CAS Number: 109299-78-7
Product Number: AG0034B5(AGN-PC-07H82K)
Synonyms:
MDL No: MFCD03002366
Molecular Formula: C4H5BN2O2
Molecular Weight: 123.9057

Identification/Properties


Properties
MP:
110-114 °C
BP:
334.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
Soluble in Ether, MeOH, DMSO, THF.
Computed Properties
Molecular Weight:
123.906g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
124.044g/mol
Monoisotopic Mass:
124.044g/mol
Topological Polar Surface Area:
66.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
84.6
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


NMR Spectrum


Other Analytical Data


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