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Home > Boronic Acids > 1351986-34-9
1351986-34-9 | 2,5-Dihydro-2,5-bis(2-octyldodecyl)-3,6-bis[5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-thiophen-2-yl]pyrrolo[3,4-c]pyrrol-1,4-dione
CAS No: 1351986-34-9 Catalog No: AG009JP2 MDL No:
Product Description
Catalog Number:
AG009JP2
Chemical Name:
2,5-Dihydro-2,5-bis(2-octyldodecyl)-3,6-bis[5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-thiophen-2-yl]pyrrolo[3,4-c]pyrrol-1,4-dione
CAS Number:
1351986-34-9
IUPAC Name:
2,5-bis(2-octyldodecyl)-1,4-bis[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione
InChI:
InChI=1S/C66H110B2N2O6S2/c1-13-17-21-25-29-31-35-39-43-51(41-37-33-27-23-19-15-3)49-69-59(53-45-47-55(77-53)67-73-63(5,6)64(7,8)74-67)57-58(61(69)71)60(54-46-48-56(78-54)68-75-65(9,10)66(11,12)76-68)70(62(57)72)50-52(42-38-34-28-24-20-16-4)44-40-36-32-30-26-22-18-14-2/h45-48,51-52H,13-44,49-50H2,1-12H3
InChI Key:
OZQFATKGMJQJSF-UHFFFAOYSA-N
Properties
Complexity:
1730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1112.799g/mol
Formal Charge:
0
Heavy Atom Count:
78
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1113.354g/mol
Monoisotopic Mass:
1112.799g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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