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887707-05-3 | Thiophene, 2,2'-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis[5-bromo-
CAS No: 887707-05-3 Catalog No: AG004B73 MDL No:
Product Description
Catalog Number:
AG004B73
Chemical Name:
Thiophene, 2,2'-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis[5-bromo-
CAS Number:
887707-05-3
Molecular Formula:
C37H44Br2S2
Molecular Weight:
712.6833
IUPAC Name:
2-bromo-5-[7-(5-bromothiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophene
InChI:
InChI=1S/C37H44Br2S2/c1-3-5-7-9-11-13-23-37(24-14-12-10-8-6-4-2)31-25-27(33-19-21-35(38)40-33)15-17-29(31)30-18-16-28(26-32(30)37)34-20-22-36(39)41-34/h15-22,25-26H,3-14,23-24H2,1-2H3
InChI Key:
GLKCPGGHMPJTKM-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1(CCCCCCCC)c2cc(ccc2c2c1cc(cc2)c1ccc(s1)Br)c1ccc(s1)Br
Properties
Complexity:
697
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
712.123g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
712.687g/mol
Monoisotopic Mass:
710.125g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.7
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