1H-Benzo[d][1,2,3]triazol-5-ylboronic acid pinacol ester


Chemical Name: 1H-Benzo[d][1,2,3]triazol-5-ylboronic acid pinacol ester
CAS Number: 1257651-13-0
Product Number: AG000ONJ(AGN-PC-0WA4LC)
Synonyms:
MDL No:
Molecular Formula: C12H16BN3O2
Molecular Weight: 245.0853

Identification/Properties


Computed Properties
Molecular Weight:
245.089g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
245.134g/mol
Monoisotopic Mass:
245.134g/mol
Topological Polar Surface Area:
60A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
321
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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