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845658-83-5 | Thiophene, 2,2'-[2,5-bis(octyloxy)-1,4-phenylene]bis[5-bromo-
CAS No: 845658-83-5 Catalog No: AG004UPX MDL No:
Product Description
Catalog Number:
AG004UPX
Chemical Name:
Thiophene, 2,2'-[2,5-bis(octyloxy)-1,4-phenylene]bis[5-bromo-
CAS Number:
845658-83-5
Molecular Formula:
C30H40Br2O2S2
Molecular Weight:
656.5754
IUPAC Name:
2-bromo-5-[4-(5-bromothiophen-2-yl)-2,5-dioctoxyphenyl]thiophene
InChI:
InChI=1S/C30H40Br2O2S2/c1-3-5-7-9-11-13-19-33-25-21-24(28-16-18-30(32)36-28)26(34-20-14-12-10-8-6-4-2)22-23(25)27-15-17-29(31)35-27/h15-18,21-22H,3-14,19-20H2,1-2H3
InChI Key:
HUIVFKICLFZIOX-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cc(c(cc1c1ccc(s1)Br)OCCCCCCCC)c1ccc(s1)Br
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
656.082g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
656.576g/mol
Monoisotopic Mass:
654.084g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.4
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