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

Catalog Number
ACM1192352081
Product Name
4,7-Dibromo-5,6-bis(octyloxy)-2,1,3-benzothiadiazole
Structure
CAS
1192352-08-1
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
4,7-dibromo-5,6-dioctoxy-2,1,3-benzothiadiazole
Molecular Weight
550.4g/mol
Molecular Formula
C22H34Br2N2O2S
Canonical SMILES
CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)Br)Br
InChI
InChI=1S/C22H34Br2N2O2S/c1-3-5-7-9-11-13-15-27-21-17(23)19-20(26-29-25-19)18(24)22(21)28-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChI Key
VGCVJZVDAAWTFC-UHFFFAOYSA-N
Complexity
386
Covalently-Bonded Unit Count
1
Exact Mass
550.06873g/mol
Formal Charge
0
Heavy Atom Count
29
Monoisotopic Mass
548.07077g/mol
Rotatable Bond Count
16
XLogP3
10
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