Boronic acid, 4-isoquinolinyl-, hydrochloride


Chemical Name: Boronic acid, 4-isoquinolinyl-, hydrochloride
CAS Number: 677702-23-7
Product Number: AG003R5J(AGN-PC-04Z0WS)
Synonyms:
MDL No:
Molecular Formula: C9H9BClNO2
Molecular Weight: 209.4373

Identification/Properties


Properties
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
209.436g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
209.041g/mol
Monoisotopic Mass:
209.041g/mol
Topological Polar Surface Area:
53.4A^2
Heavy Atom Count:
14
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:
2
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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