Alternative Energy / Alfa Chemistry

4,7-Dibromo-5,6-bis(dodecyloxy)-2,1,3-benzothiadiazole

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Products

4,7-Dibromo-5,6-bis(dodecyloxy)-2,1,3-benzothiadiazole

Catalog Number
ACM1313876004
CAS
1313876-00-4
IUPAC Name
4,7-dibromo-5,6-didodecoxy-2,1,3-benzothiadiazole
Molecular Weight
662.61
Molecular Formula
C30H50Br2N2O2S

Product Information

Canonical SMILES
CCCCCCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCCCCCC)Br)Br
InChI
InChI=1S/C30H50Br2N2O2S/c1-3-5-7-9-11-13-15-17-19-21-23-35-29-25(31)27-28(34-37-33-27)26(32)30(29)36-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChI Key
DVDXEQCMUYXONV-UHFFFAOYSA-N
Melting Point
61 °C
Purity
>98.0%(HPLC)
Appearance
White to Almost white powder to crystal
Complexity
490
Exact Mass
662.19393g/mol
Heavy Atom Count
37
Monoisotopic Mass
660.19598g/mol
Reaxys Registry Number
21560303
Rotatable Bond Count
24
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