CAS 1192352-10-5 4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(n-octyloxy)-2,1,3-benzothiadiazole

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4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(n-octyloxy)-2,1,3-benzothiadiazole

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Catalog Number

ACM1192352105

CAS Number

1192352-10-5

Product Name

4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(n-octyloxy)-2,1,3-benzothiadiazole

Structure

Category

Polymers

IUPAC Name

4,7-bis(5-bromothiophen-2-yl)-5,6-dioctoxy-2,1,3-benzothiadiazole

Molecular Weight

714.63

Molecular Formula

C30H38Br2N2O2S3

Canonical SMILES

CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)C3=CC=C(S3)Br)C4=CC=C(S4)Br

InChI

InChI=1S/C30H38Br2N2O2S3/c1-3-5-7-9-11-13-19-35-29-25(21-15-17-23(31)37-21)27-28(34-39-33-27)26(22-16-18-24(32)38-22)30(29)36-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3

InChI Key

QNBPEQCRDXBBCR-UHFFFAOYSA-N

Melting Point

74 °C

Purity

>98.0%(HPLC)

Appearance

Light yellow to Brown powder to crystal

Complexity

630

Covalently-Bonded Unit Count

Exact Mass

714.04417g/mol

Formal Charge

Heavy Atom Count

MDL Number

MFCD26743666

Monoisotopic Mass

712.04622g/mol

Rotatable Bond Count

XLogP3

13.3

MSDS

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COA

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Spec Sheet

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