(3-butoxy-2,4,6-trifluorophenyl)boronic acid


Chemical Name: (3-butoxy-2,4,6-trifluorophenyl)boronic acid
CAS Number: 871126-23-7
Product Number: AG003BRM(AGN-PC-00UQSX)
Synonyms:
MDL No:
Molecular Formula: C10H12BF3O3
Molecular Weight: 248.0067

Identification/Properties


Properties
MP:
117-123°C
BP:
351.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
248.008g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
248.083g/mol
Monoisotopic Mass:
248.083g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
233
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#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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