2,6-Dibromo-4,8-bis[(2-butyl-n-octyl)oxy]benzo[1,2-b:4,5-b']dithiophene

Name: 2,6-Dibromo-4,8-bis[(2-butyl-n-octyl)oxy]benzo[1,2-b:4,5-b']dithiophene
SKU: ACM1336893152-1
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Catalog NumberACM1336893152-1

CAS Number1336893-15-2

CategoryPolymers; Semiconductor Blocks

IUPAC Name

2,6-dibromo-4,8-bis(2-butyloctoxy)thieno[2,3-f][1]benzothiole

Molecular Weight

716.7g/mol

Molecular Formula

C34H52Br2O2S2

Canonical SMILES

CCCCCCC(CCCC)COC1=C2C=C(SC2=C(C3=C1SC(=C3)Br)OCC(CCCC)CCCCCC)Br

InChI

InChI=1S/C34H52Br2O2S2/c1-5-9-13-15-19-25(17-11-7-3)23-37-31-27-21-29(35)40-34(27)32(28-22-30(36)39-33(28)31)38-24-26(18-12-8-4)20-16-14-10-6-2/h21-22,25-26H,5-20,23-24H2,1-4H3

InChI Key

XXZPBOPQASGASH-UHFFFAOYSA-N

Complexity

601

Covalently-Bonded Unit Count

Exact Mass

716.1755g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

714.17755g/mol

Rotatable Bond Count

XLogP3

16.5

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