Boronic acid, [4-(trifluoromethyl)phenyl]-


Chemical Name: Boronic acid, [4-(trifluoromethyl)phenyl]-
CAS Number: 128796-39-4
Product Number: AG000YEL(AGN-PC-0KK6JH)
Synonyms:
MDL No: MFCD00151855
Molecular Formula: C7H6BF3O2
Molecular Weight: 189.9275

Identification/Properties


Properties
MP:
245-250 °C
BP:
258.6 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
189.928g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
190.041g/mol
Monoisotopic Mass:
190.041g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
164
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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