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821782-24-5 | Pyridine, 5-[5-(10-iododecyl)-2-thienyl]-2-(5-octyl-2-thienyl)-
CAS No: 821782-24-5 Catalog No: AG0057UH MDL No:
Product Description
Catalog Number:
AG0057UH
Chemical Name:
Pyridine, 5-[5-(10-iododecyl)-2-thienyl]-2-(5-octyl-2-thienyl)-
CAS Number:
821782-24-5
Molecular Formula:
C31H44INS2
Molecular Weight:
621.7222
IUPAC Name:
5-[5-(10-iododecyl)thiophen-2-yl]-2-(5-octylthiophen-2-yl)pyridine
InChI:
InChI=1S/C31H44INS2/c1-2-3-4-5-10-13-17-28-20-23-31(35-28)29-21-18-26(25-33-29)30-22-19-27(34-30)16-14-11-8-6-7-9-12-15-24-32/h18-23,25H,2-17,24H2,1H3
InChI Key:
PVHYLVZDJRDFBB-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(s1)c1ccc(cn1)c1ccc(s1)CCCCCCCCCCI
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
621.196g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
621.724g/mol
Monoisotopic Mass:
621.196g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.2
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