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4,7-Bis(5-bromo-4-dodecyl-2-thienyl)-2,1,3-benzothiadiazole
Catalog Number
ACM1179993726-1
CAS
1179993-72-6
IUPAC Name
4,7-bis(5-bromo-4-dodecylthiophen-2-yl)-2,1,3-benzothiadiazole
Molecular Weight
794.85
Molecular Formula
C38H54Br2N2S3
Product Information
Canonical SMILES
CCCCCCCCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCCCCCCCC)Br
InChI
InChI=1S/C38H54Br2N2S3/c1-3-5-7-9-11-13-15-17-19-21-23-29-27-33(43-37(29)39)31-25-26-32(36-35(31)41-45-42-36)34-28-30(38(40)44-34)24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3
InChI Key
ZFMZIVKXDPTWBS-UHFFFAOYSA-N
Purity
>98.0%(HPLC)
Appearance
Orange to Red powder to crystal
Complexity
703
Exact Mass
794.17954g/mol
Heavy Atom Count
45
Monoisotopic Mass
792.18159g/mol
Reaxys Registry Number
21912169
Rotatable Bond Count
24
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