2,6-Dibromo-4-n-octyldithieno[3,2-b:2',3'-d]pyrrole

Name: 2,6-Dibromo-4-n-octyldithieno[3,2-b:2',3'-d]pyrrole
SKU: ACM1346688547
Rating: 5 (1 reviews)

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Catalog NumberACM1346688547

CAS Number1346688-54-7

CategoryPolymers; Semiconductor Blocks

IUPAC Name

4,10-dibromo-7-octyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

Molecular Weight

449.3g/mol

Molecular Formula

C16H19Br2NS2

Canonical SMILES

CCCCCCCCN1C2=C(C3=C1C=C(S3)Br)SC(=C2)Br

InChI

InChI=1S/C16H19Br2NS2/c1-2-3-4-5-6-7-8-19-11-9-13(17)20-15(11)16-12(19)10-14(18)21-16/h9-10H,2-8H2,1H3

InChI Key

IJEKMGUFKKPWLT-UHFFFAOYSA-N

Complexity

320

Covalently-Bonded Unit Count

Exact Mass

448.93052g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

446.93257g/mol

Rotatable Bond Count

XLogP3

8.3

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