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2,5-Dibromo-N-n-octyl-3,4-thiophenedicarboximide
Catalog Number
ACM566939580-1
CAS
566939-58-0
IUPAC Name
1,3-dibromo-5-octylthieno[3,4-c]pyrrole-4,6-dione
Synonyms
1,3-Dibromo-5-n-octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
Molecular Weight
423.16
Molecular Formula
C14H17Br2NO2S
Product Information
Canonical SMILES
CCCCCCCCN1C(=O)C2=C(SC(=C2C1=O)Br)Br
InChI
InChI=1S/C14H17Br2NO2S/c1-2-3-4-5-6-7-8-17-13(18)9-10(14(17)19)12(16)20-11(9)15/h2-8H2,1H3
InChI Key
GSGMEQUXTCYOAU-UHFFFAOYSA-N
Melting Point
107 °C
Purity
>98.0%(GC)
Appearance
White to Almost white powder to crystal
Complexity
354
Exact Mass
422.93263g/mol
Heavy Atom Count
20
MDL Number
MFCD18804055
Monoisotopic Mass
420.93468g/mol
Reaxys Registry Number
10468133
Rotatable Bond Count
7
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