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698389-71-8 | Benzene, 1,1'-(2,4-diiodo-1-butenylidene)bis[4-methyl-
CAS No: 698389-71-8 Catalog No: AG006601 MDL No:
Product Description
Catalog Number:
AG006601
Chemical Name:
Benzene, 1,1'-(2,4-diiodo-1-butenylidene)bis[4-methyl-
CAS Number:
698389-71-8
Molecular Formula:
C18H18I2
Molecular Weight:
488.1445
IUPAC Name:
1-[2,4-diiodo-1-(4-methylphenyl)but-1-enyl]-4-methylbenzene
InChI:
InChI=1S/C18H18I2/c1-13-3-7-15(8-4-13)18(17(20)11-12-19)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChI Key:
DBWAOEYFUBMRKP-UHFFFAOYSA-N
SMILES:
ICCC(=C(c1ccc(cc1)C)c1ccc(cc1)C)I
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.95g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
488.151g/mol
Monoisotopic Mass:
487.95g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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