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877175-35-4 | 2,2'-Bithiophene, 5,5'-bis[4-(octyloxy)phenyl]-
CAS No: 877175-35-4 Catalog No: AG004N13 MDL No:
Product Description
Catalog Number:
AG004N13
Chemical Name:
2,2'-Bithiophene, 5,5'-bis[4-(octyloxy)phenyl]-
CAS Number:
877175-35-4
Molecular Formula:
C36H46O2S2
Molecular Weight:
574.8792
IUPAC Name:
2-(4-octoxyphenyl)-5-[5-(4-octoxyphenyl)thiophen-2-yl]thiophene
InChI:
InChI=1S/C36H46O2S2/c1-3-5-7-9-11-13-27-37-31-19-15-29(16-20-31)33-23-25-35(39-33)36-26-24-34(40-36)30-17-21-32(22-18-30)38-28-14-12-10-8-6-4-2/h15-26H,3-14,27-28H2,1-2H3
InChI Key:
QITZNHQHELYSMM-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)c1ccc(s1)c1ccc(s1)c1ccc(cc1)OCCCCCCCC
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
574.294g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
574.882g/mol
Monoisotopic Mass:
574.294g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.1
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