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Home > Boronic Acids > 247564-71-2
247564-71-2 | Boronic acid, B-(2,3,6-trifluorophenyl)-
CAS No: 247564-71-2 Catalog No: AG002PC7 MDL No:MFCD01863167
Product Description
Catalog Number:
AG002PC7
Chemical Name:
Boronic acid, B-(2,3,6-trifluorophenyl)-
CAS Number:
247564-71-2
Molecular Formula:
C6H4BF3O2
Molecular Weight:
175.9010
MDL Number:
MFCD01863167
IUPAC Name:
(2,3,6-trifluorophenyl)boronic acid
InChI:
InChI=1S/C6H4BF3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H
InChI Key:
IWPDDRPLEKURGG-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1F)B(O)O)F
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.901g/mol
Monoisotopic Mass:
176.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| A convenient catalyst system for microwave accelerated cross-coupling of a range of aryl boronic acids with aryl chlorides. | Beilstein journal of organic chemistry 20070101 |
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