Boronic acid, (4-cyano-2-methylphenyl)-


Chemical Name: Boronic acid, (4-cyano-2-methylphenyl)-
CAS Number: 313546-18-8
Product Number: AG00BYKW(AGN-PC-00UR1J)
Synonyms:
MDL No:
Molecular Formula: C8H8BNO2
Molecular Weight: 160.9656

Identification/Properties


Properties
MP:
280 °C
BP:
376.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
160.967g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
161.065g/mol
Monoisotopic Mass:
161.065g/mol
Topological Polar Surface Area:
64.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
199
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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