(3-bromo-2-cyanophenyl)boronic acid


Chemical Name: (3-bromo-2-cyanophenyl)boronic acid
CAS Number: 1032231-32-5
Product Number: AG007XX4(AGN-PC-07XU98)
Synonyms:
MDL No:
Molecular Formula: C7H5BBrNO2
Molecular Weight: 225.8351

Identification/Properties


Computed Properties
Molecular Weight:
225.836g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
224.96g/mol
Monoisotopic Mass:
224.96g/mol
Topological Polar Surface Area:
64.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
203
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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