Boronic acid, [3-(difluoromethyl)phenyl]-


Chemical Name: Boronic acid, [3-(difluoromethyl)phenyl]-
CAS Number: 854690-87-2
Product Number: AG0036BY(AGN-PC-0786DE)
Synonyms:
MDL No:
Molecular Formula: C7H7BF2O2
Molecular Weight: 171.9371

Identification/Properties


Properties
MP:
38-40°C
BP:
312°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
171.938g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
172.051g/mol
Monoisotopic Mass:
172.051g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
143
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:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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