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457931-23-6

457931-23-6 structural image
Product Name: 4,7-Bis(5-bromo-4-octylthiophen-2-yl)benzo[c][1,2,5]thiadiazole
Formula: C30H38Br2N2S3
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COMPUTED DESCRIPTORS

Molecular Weight 682.6 g/mol
XLogP3 14.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 16
Exact Mass 682.05434 g/mol
Monoisotopic Mass 680.05639 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 592
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes