(2-chloro-3-ethoxy-6-fluorophenyl)boronic acid


Chemical Name: (2-chloro-3-ethoxy-6-fluorophenyl)boronic acid
CAS Number: 957120-93-3
Product Number: AG005YD7(AGN-PC-078TDC)
Synonyms:
MDL No:
Molecular Formula: C8H9BClFO3
Molecular Weight: 218.4177

Identification/Properties


Properties
MP:
127-129° C
BP:
366.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
218.415g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
218.032g/mol
Monoisotopic Mass:
218.032g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
184
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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