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698389-62-7 | Benzene, 1,1'-(2,4-diiodo-1-butenylidene)bis[4-methoxy-
CAS No: 698389-62-7 Catalog No: AG006602 MDL No:
Product Description
Catalog Number:
AG006602
Chemical Name:
Benzene, 1,1'-(2,4-diiodo-1-butenylidene)bis[4-methoxy-
CAS Number:
698389-62-7
Molecular Formula:
C18H18I2O2
Molecular Weight:
520.1433
IUPAC Name:
1-[2,4-diiodo-1-(4-methoxyphenyl)but-1-enyl]-4-methoxybenzene
InChI:
InChI=1S/C18H18I2O2/c1-21-15-7-3-13(4-8-15)18(17(20)11-12-19)14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3
InChI Key:
ZSMORTHPHJBVCB-UHFFFAOYSA-N
SMILES:
ICCC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)I
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.94g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
520.149g/mol
Monoisotopic Mass:
519.94g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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