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149762-42-5 | Benzene, 1,4-bis(heptyloxy)-2,5-diiodo-
CAS No: 149762-42-5 Catalog No: AG001LZN MDL No:
Product Description
Catalog Number:
AG001LZN
Chemical Name:
Benzene, 1,4-bis(heptyloxy)-2,5-diiodo-
CAS Number:
149762-42-5
Molecular Formula:
C20H32I2O2
Molecular Weight:
558.2758
IUPAC Name:
1,4-diheptoxy-2,5-diiodobenzene
InChI:
InChI=1S/C20H32I2O2/c1-3-5-7-9-11-13-23-19-15-18(22)20(16-17(19)21)24-14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
InChI Key:
LIXNRQPADFWSHU-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1cc(I)c(cc1I)OCCCCCCC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.049g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
558.283g/mol
Monoisotopic Mass:
558.049g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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