1,3-benzothiazol-6-ylboronic acid


Chemical Name: 1,3-benzothiazol-6-ylboronic acid
CAS Number: 499769-91-4
Product Number: AG00DHO2(AGN-PC-0LFE6U)
Synonyms:
MDL No:
Molecular Formula: C7H6BNO2S
Molecular Weight: 179.0040

Identification/Properties


Properties
MP:
163.6°C
BP:
401.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
179g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
179.021g/mol
Monoisotopic Mass:
179.021g/mol
Topological Polar Surface Area:
81.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
170
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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