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162715-93-7 | Benzene, 1,4-didodecyl-2,5-diiodo-
CAS No: 162715-93-7 Catalog No: AG001TCO MDL No:
Product Description
Catalog Number:
AG001TCO
Chemical Name:
Benzene, 1,4-didodecyl-2,5-diiodo-
CAS Number:
162715-93-7
Molecular Formula:
C30H52I2
Molecular Weight:
666.5428
IUPAC Name:
1,4-didodecyl-2,5-diiodobenzene
InChI:
InChI=1S/C30H52I2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25-30(32)28(26-29(27)31)24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChI Key:
BONMOXZHNZXHRN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1cc(I)c(cc1I)CCCCCCCCCCCC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
666.216g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
666.555g/mol
Monoisotopic Mass:
666.216g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.6
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