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Home > Boronic Acids > 408492-24-0
408492-24-0 | 2,2',2''-(2,4,6-Trifluorobenzene-1,3,5-triyl) tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CAS No: 408492-24-0 Catalog No: AG00CLSW MDL No:MFCD12407207
Product Description
Catalog Number:
AG00CLSW
Chemical Name:
2,2',2''-(2,4,6-Trifluorobenzene-1,3,5-triyl) tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CAS Number:
408492-24-0
Molecular Formula:
C24H36B3F3O6
Molecular Weight:
509.9672
MDL Number:
MFCD12407207
IUPAC Name:
4,4,5,5-tetramethyl-2-[2,4,6-trifluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C24H36B3F3O6/c1-19(2)20(3,4)32-25(31-19)13-16(28)14(26-33-21(5,6)22(7,8)34-26)18(30)15(17(13)29)27-35-23(9,10)24(11,12)36-27/h1-12H3
InChI Key:
GPMPPJKUOMDMAS-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1c(F)c(B2OC(C(O2)(C)C)(C)C)c(c(c1F)B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.274g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
509.971g/mol
Monoisotopic Mass:
510.274g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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