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821782-11-0 | 2,2':5',2''-Terthiophene, 5-(10-iododecyl)-5''-octyl-
CAS No: 821782-11-0 Catalog No: AG0057UJ MDL No:
Product Description
Catalog Number:
AG0057UJ
Chemical Name:
2,2':5',2''-Terthiophene, 5-(10-iododecyl)-5''-octyl-
CAS Number:
821782-11-0
Molecular Formula:
C30H43IS3
Molecular Weight:
626.7619
IUPAC Name:
2-[5-(10-iododecyl)thiophen-2-yl]-5-(5-octylthiophen-2-yl)thiophene
InChI:
InChI=1S/C30H43IS3/c1-2-3-4-5-10-13-16-25-18-20-27(32-25)29-22-23-30(34-29)28-21-19-26(33-28)17-14-11-8-6-7-9-12-15-24-31/h18-23H,2-17,24H2,1H3
InChI Key:
YPONISTZDCYEKF-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(s1)c1ccc(s1)c1ccc(s1)CCCCCCCCCCI
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.157g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
626.758g/mol
Monoisotopic Mass:
626.157g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14
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