isoquinolin-6-ylboronic acid;hydrochloride


Chemical Name: isoquinolin-6-ylboronic acid;hydrochloride
CAS Number: 1236031-63-2
Product Number: AG000KTT(AGN-PC-0H8LD5)
Synonyms:
MDL No: MFCD18383561
Molecular Formula: C9H9BClNO2
Molecular Weight: 209.4373

Identification/Properties


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:
Danger
UN#:
2811
Hazard Statements:
H301-H318
Precautionary Statements:
P280-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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