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847549-44-4 | Benzene, 1-[(4-ethynylphenyl)ethynyl]-4-iodo-2,5-dioctyl-
CAS No: 847549-44-4 Catalog No: AG004YAF MDL No:
Product Description
Catalog Number:
AG004YAF
Chemical Name:
Benzene, 1-[(4-ethynylphenyl)ethynyl]-4-iodo-2,5-dioctyl-
CAS Number:
847549-44-4
Molecular Formula:
C32H41I
Molecular Weight:
552.5724
IUPAC Name:
1-[2-(4-ethynylphenyl)ethynyl]-4-iodo-2,5-dioctylbenzene
InChI:
InChI=1S/C32H41I/c1-4-7-9-11-13-15-17-29-26-32(33)31(18-16-14-12-10-8-5-2)25-30(29)24-23-28-21-19-27(6-3)20-22-28/h3,19-22,25-26H,4-5,7-18H2,1-2H3
InChI Key:
KMXGQRQIUUYZHD-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cc(C#Cc2ccc(cc2)C#C)c(cc1I)CCCCCCCC
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
552.225g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
552.584g/mol
Monoisotopic Mass:
552.225g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.9
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