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4,7-Dibromo-5,6-di-n-octyloxy-2,1,3-benzothiadiazole
Catalog Number
ACM1192352081-1
CAS
1192352-08-1
IUPAC Name
4,7-dibromo-5,6-dioctoxy-2,1,3-benzothiadiazole
Molecular Weight
550.39
Molecular Formula
C22H34Br2N2O2S
Product Information
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
Melting Point
45 °C
Purity
>98.0%(GC)
Appearance
White to Almost white powder to crystal
Complexity
386
Exact Mass
550.06873g/mol
Heavy Atom Count
29
MDL Number
MFCD19940667
Monoisotopic Mass
548.07077g/mol
Reaxys Registry Number
19888597
Rotatable Bond Count
16
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