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2,7-Dibromo-9,9-di-n-octylfluorene

Catalog Number
ACM198964464-1
CAS Number
198964-46-4
Product Name
2,7-Dibromo-9,9-di-n-octylfluorene
Structure
Category
Electroluminescence Materials; Polymers
IUPAC Name
2,7-dibromo-9,9-dioctylfluorene
Molecular Weight
548.4g/mol
Molecular Formula
C29H40Br2
Canonical SMILES
CCCCCCCCC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br)CCCCCCCC
InChI
InChI=1S/C29H40Br2/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h15-18,21-22H,3-14,19-20H2,1-2H3
InChI Key
CYKLQIOPIMZZBZ-UHFFFAOYSA-N
Complexity
445
Covalently-Bonded Unit Count
1
Exact Mass
548.14763g/mol
Formal Charge
0
Heavy Atom Count
31
Monoisotopic Mass
546.14968g/mol
Rotatable Bond Count
14
XLogP3
13.4
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