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4,6-Dibromodibenzothiophene

Catalog Number
ACM669773346-1
CAS Number
669773-34-6
Product Name
4,6-Dibromodibenzothiophene
Structure
Category
Organic Light-Emitting Diode (OLED) Materials; Semiconductor Blocks
Synonyms
4,6-Dibromodibenzo[b,d]thiophene; Dibenzothiophene, 4,6-dibromo-
IUPAC Name
4,6-dibromodibenzothiophene
Molecular Weight
342.05
Molecular Formula
C12H6Br2S
Canonical SMILES
C1=CC2=C(C(=C1)Br)SC3=C2C=CC=C3Br
InChI
ULGFJZPCGNTWFK-UHFFFAOYSA-N
InChI Key
InChI=1S/C12H6Br2S/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H
Boiling Point
436.5±25.0 °C(Predicted)
Melting Point
184-188 °C
Purity
98%
Density
1.905±0.06 g/cm3(Predicted)
Appearance
White powder
Complexity
222
Covalently-Bonded Unit Count
1
Exact Mass
341.85365g/mol
Formal Charge
0
Heavy Atom Count
15
Isomeric SMILES
C1=CC2=C(C(=C1)Br)SC3=C2C=CC=C3Br
Monoisotopic Mass
339.8557g/mol
Rotatable Bond Count
0
XLogP3
5.7
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