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5,5'-Dibromo-3,3'-dihexyl-2,2'-bithiophene

Catalog Number
ACM170702053
Product Name
5,5'-Dibromo-3,3'-dihexyl-2,2'-bithiophene
Structure
CAS
170702-05-3
Category
Electroluminescence Materials
IUPAC Name
5-bromo-2-(5-bromo-3-hexylthiophen-2-yl)-3-hexylthiophene
Molecular Weight
492.4g/mol
Molecular Formula
C20H28Br2S2
Canonical SMILES
CCCCCCC1=C(SC(=C1)Br)C2=C(C=C(S2)Br)CCCCCC
InChI
InChI=1S/C20H28Br2S2/c1-3-5-7-9-11-15-13-17(21)23-19(15)20-16(14-18(22)24-20)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChI Key
MMSTXAGVEKUBED-UHFFFAOYSA-N
Complexity
308
Covalently-Bonded Unit Count
1
Exact Mass
491.99787g/mol
Formal Charge
0
Heavy Atom Count
24
Monoisotopic Mass
489.99992g/mol
Rotatable Bond Count
11
XLogP3
11
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