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5,5-Dibromo-4,4-didodecyl-2,2-bithiophene

Catalog Number
ACM753470950
Product Name
5,5-Dibromo-4,4-didodecyl-2,2-bithiophene
Structure
CAS
753470-95-0
Category
Synthetic Tools and Reagents
Synonyms
5,5-dibroMo-4,4-didodecyl-2,2-bithiophene
IUPAC Name
2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene
Molecular Weight
660.7g/mol
Molecular Formula
C32H52Br2S2
SMILES
CCCCCCCCCCCCC1=C(SC(=C1)C2=CC(=C(S2)Br)CCCCCCCCCCCC)Br
InChI
InChI=1S/C32H52Br2S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25-29(35-31(27)33)30-26-28(32(34)36-30)24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKey
HTSYYLNTMSXYHZ-UHFFFAOYSA-N
Status
0
Complexity
459
Formal Charge
0
Exact Mass
660.18567g/mol
Monoisotopic Mass
658.18772g/mol
XLogP3
17.5
Covalently-Bonded Unit Count
1
Heavy Atom Count
36
Rotatable Bond Count
23
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