2-Isopropoxy-4-(trifluoromethyl)phenylboronic acid


Chemical Name: 2-Isopropoxy-4-(trifluoromethyl)phenylboronic acid
CAS Number: 1072952-21-6
Product Number: AG007WI8(AGN-PC-078JMW)
Synonyms:
MDL No:
Molecular Formula: C10H12BF3O3
Molecular Weight: 248.0067

Identification/Properties


Computed Properties
Molecular Weight:
248.008g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
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:
245
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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