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171569-01-0 | 1,4-Diiodo-2,5-dioctylbenzene
CAS No: 171569-01-0 Catalog No: AG003DOK MDL No:
Product Description
Catalog Number:
AG003DOK
Chemical Name:
1,4-Diiodo-2,5-dioctylbenzene
CAS Number:
171569-01-0
Molecular Formula:
C22H36I2
Molecular Weight:
554.3302
IUPAC Name:
1,4-diiodo-2,5-dioctylbenzene
InChI:
InChI=1S/C22H36I2/c1-3-5-7-9-11-13-15-19-17-22(24)20(18-21(19)23)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChI Key:
JNTDOQWSWMNCCX-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cc(I)c(cc1I)CCCCCCCC
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.091g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.339g/mol
Monoisotopic Mass:
554.091g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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