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145483-64-3 | Benzene, 1,4-bis(hexadecyloxy)-2,5-diiodo-
CAS No: 145483-64-3 Catalog No: AG001D2J MDL No:
Product Description
Catalog Number:
AG001D2J
Chemical Name:
Benzene, 1,4-bis(hexadecyloxy)-2,5-diiodo-
CAS Number:
145483-64-3
Molecular Formula:
C38H68I2O2
Molecular Weight:
810.7543
IUPAC Name:
1,4-dihexadecoxy-2,5-diiodobenzene
InChI:
InChI=1S/C38H68I2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41-37-33-36(40)38(34-35(37)39)42-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3
InChI Key:
DRMFKKJPPCIOIT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOc1cc(I)c(cc1I)OCCCCCCCCCCCCCCCC
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
810.331g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
810.769g/mol
Monoisotopic Mass:
810.331g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.7
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