Boronic acid, 4-isoquinolinyl-


Chemical Name: Boronic acid, 4-isoquinolinyl-
CAS Number: 192182-56-2
Product Number: AG002FP6(AGN-PC-0KZOT5)
Synonyms:
MDL No: MFCD03412093
Molecular Formula: C9H8BNO2
Molecular Weight: 172.9763

Identification/Properties


Properties
MP:
178 °C
BP:
419.1°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
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


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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