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823191-68-0 | 1,1'-Biphenyl, 3,3'-dichloro-6,6'-diiodo-2,2',4,4'-tetramethyl-
CAS No: 823191-68-0 Catalog No: AG005FDH MDL No:
Product Description
Catalog Number:
AG005FDH
Chemical Name:
1,1'-Biphenyl, 3,3'-dichloro-6,6'-diiodo-2,2',4,4'-tetramethyl-
CAS Number:
823191-68-0
Molecular Formula:
C16H14Cl2I2
Molecular Weight:
530.9973
IUPAC Name:
4-chloro-2-(3-chloro-6-iodo-2,4-dimethylphenyl)-1-iodo-3,5-dimethylbenzene
InChI:
InChI=1S/C16H14Cl2I2/c1-7-5-11(19)13(9(3)15(7)17)14-10(4)16(18)8(2)6-12(14)20/h5-6H,1-4H3
InChI Key:
ITHAAELMWVBKER-UHFFFAOYSA-N
SMILES:
Ic1cc(C)c(c(c1c1c(I)cc(c(c1C)Cl)C)C)Cl
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.856g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.997g/mol
Monoisotopic Mass:
529.856g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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