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Home > Boronic Acids > 223440-98-0
223440-98-0 | Boroxin, tris(pentafluorophenyl)-
CAS No: 223440-98-0 Catalog No: AG006YQR MDL No:
Product Description
Catalog Number:
AG006YQR
Chemical Name:
Boroxin, tris(pentafluorophenyl)-
CAS Number:
223440-98-0
Molecular Formula:
C18B3F15O3
Molecular Weight:
581.5998
IUPAC Name:
2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-1,3,5,2,4,6-trioxatriborinane
InChI:
InChI=1S/C18B3F15O3/c22-4-1(5(23)11(29)16(34)10(4)28)19-37-20(2-6(24)12(30)17(35)13(31)7(2)25)39-21(38-19)3-8(26)14(32)18(36)15(33)9(3)27
InChI Key:
IBNIGVWTCXYCJM-UHFFFAOYSA-N
SMILES:
Fc1c(B2OB(OB(O2)c2c(F)c(F)c(c(c2F)F)F)c2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
581.989g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
581.601g/mol
Monoisotopic Mass:
581.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Analysis of geometric parameters and packing considerations for triphenylboroxine derivatives, with tris(pentafluorophenyl)boroxine as an example. | Acta crystallographica. Section C, Crystal structure communications 20120501 |
| Fluorinated boroxin-based anion receptors for lithium ion batteries: fluoride anion binding, ab initio calculations, and ionic conductivity studies. | The journal of physical chemistry. A 20090521 |
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