(6-bromo-2-fluoro-3-phenylmethoxyphenyl)boronic acid


Chemical Name: (6-bromo-2-fluoro-3-phenylmethoxyphenyl)boronic acid
CAS Number: 957035-10-8
Product Number: AG003IYU(AGN-PC-078TDQ)
Synonyms:
MDL No:
Molecular Formula: C13H11BBrFO3
Molecular Weight: 324.9380

Identification/Properties


Properties
BP:
478.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
324.94g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
323.997g/mol
Monoisotopic Mass:
323.997g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
277
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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