isoquinolin-8-ylboronic acid


Chemical Name: isoquinolin-8-ylboronic acid
CAS Number: 721401-43-0
Product Number: AG0038HD(AGN-PC-0713FY)
Synonyms:
MDL No:
Molecular Formula: C9H8BNO2
Molecular Weight: 172.9763

Identification/Properties


Computed Properties
Molecular Weight:
172.978g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
173.065g/mol
Monoisotopic Mass:
173.065g/mol
Topological Polar Surface Area:
53.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
177
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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