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1221254-05-2 | 2,6-Bis(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-(4,8-bis(2-(3,5-dioctyl)thiophene)benzo[1,2-b
CAS No: 1221254-05-2 Catalog No: AG00A52J MDL No:
Product Description
Catalog Number:
AG00A52J
Chemical Name:
2,6-Bis(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-(4,8-bis(2-(3,5-dioctyl)thiophene)benzo[1,2-b
CAS Number:
1221254-05-2
IUPAC Name:
2-[4,8-bis(3,5-dioctylthiophen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-f][1]benzothiol-6-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C62H96B2O4S4/c1-13-17-21-25-29-33-37-45-41-47(39-35-31-27-23-19-15-3)69-55(45)53-49-43-51(63-65-59(5,6)60(7,8)66-63)72-58(49)54(50-44-52(71-57(50)53)64-67-61(9,10)62(11,12)68-64)56-46(38-34-30-26-22-18-14-2)42-48(70-56)40-36-32-28-24-20-16-4/h41-44H,13-40H2,1-12H3
InChI Key:
OYNKXAWHHLJVGD-UHFFFAOYSA-N
Properties
Complexity:
1420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1054.638g/mol
Formal Charge:
0
Heavy Atom Count:
72
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1055.306g/mol
Monoisotopic Mass:
1054.638g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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