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2,5-Dibromo-3-octadecylthiophene

Catalog Number
ACM205235014
CAS Number
205235-01-4
Product Name
2,5-Dibromo-3-octadecylthiophene
Category
Small Molecule Semiconductor Building Blocks; Polymers
IUPAC Name
2,5-dibromo-3-octadecylthiophene
Molecular Weight
494.4g/mol
Molecular Formula
C22H38Br2S
Canonical SMILES
CCCCCCCCCCCCCCCCCCC1=C(SC(=C1)Br)Br
InChI
InChI=1S/C22H38Br2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h19H,2-18H2,1H3
InChI Key
ZKEZVCBCCSWUTA-UHFFFAOYSA-N
Complexity
285
Covalently-Bonded Unit Count
1
Exact Mass
494.10405g/mol
Formal Charge
0
Heavy Atom Count
25
Monoisotopic Mass
492.1061g/mol
Rotatable Bond Count
17
XLogP3
13.1
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