1H-1,2,3-Benzotriazol-5-ylboronic acid


Chemical Name: 1H-1,2,3-Benzotriazol-5-ylboronic acid
CAS Number: 183282-45-3
Product Number: AG0027GK(AGN-PC-0WA4L9)
Synonyms:
MDL No:
Molecular Formula: C6H6BN3O2
Molecular Weight: 162.9417

Identification/Properties


Computed Properties
Molecular Weight:
162.943g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
163.055g/mol
Monoisotopic Mass:
163.055g/mol
Topological Polar Surface Area:
82A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
169
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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