NAVIGATION


N,N'-Bis(2-octyldodecyl)-6,6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindigo

Catalog NumberACM1563062805

CAS Number1563062-80-5

CategoryPolymers

Synonyms
1,1'-Bis(2-octyldodecyl)-6,6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[3,3'-biindolinylidene]-2,2'-dione
IUPAC Name
(3E)-1-(2-octyldodecyl)-3-[1-(2-octyldodecyl)-2-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-3-ylidene]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one
Molecular Weight
1075.27
Molecular Formula
C68H112B2N2O6
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=C4C5=C(C=C(C=C5)B6OC(C(O6)(C)C)(C)C)N(C4=O)CC(CCCCCCCC)CCCCCCCCCC)C(=O)N3CC(CCCCCCCC)CCCCCCCCCC
InChI
InChI=1S/C68H112B2N2O6/c1-13-17-21-25-29-31-35-39-43-53(41-37-33-27-23-19-15-3)51-71-59-49-55(69-75-65(5,6)66(7,8)76-69)45-47-57(59)61(63(71)73)62-58-48-46-56(70-77-67(9,10)68(11,12)78-70)50-60(58)72(64(62)74)52-54(42-38-34-28-24-20-16-4)44-40-36-32-30-26-22-18-14-2/h45-50,53-54H,13-44,51-52H2,1-12H3/b62-61+
InChI Key
CIKLHBYGEYVLOH-AIDPXTNXSA-N
Melting Point
106 °C
Density
Moisture Sensitive
Appearance
Red to Dark red to Brown powder to crystal
Storage
Store under inert gas
Complexity
1640
Covalently-Bonded Unit Count
1
Exact Mass
1074.87065g/mol
Formal Charge
0
Heavy Atom Count
78
Monoisotopic Mass
1074.87065g/mol
Rotatable Bond Count
38
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