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835595-36-3 | Benzene, 1,3-bis[2-[3,5-bis(1,1-dimethylethyl)phenyl]ethenyl]-5-iodo-
CAS No: 835595-36-3 Catalog No: AG004ZMM MDL No:
Product Description
Catalog Number:
AG004ZMM
Chemical Name:
Benzene, 1,3-bis[2-[3,5-bis(1,1-dimethylethyl)phenyl]ethenyl]-5-iodo-
CAS Number:
835595-36-3
Molecular Formula:
C38H49I
Molecular Weight:
632.7001
IUPAC Name:
1,3-ditert-butyl-5-[2-[3-[2-(3,5-ditert-butylphenyl)ethenyl]-5-iodophenyl]ethenyl]benzene
InChI:
InChI=1S/C38H49I/c1-35(2,3)30-18-28(19-31(24-30)36(4,5)6)15-13-26-17-27(23-34(39)22-26)14-16-29-20-32(37(7,8)9)25-33(21-29)38(10,11)12/h13-25H,1-12H3
InChI Key:
WHDCFSHNRDHCMO-UHFFFAOYSA-N
SMILES:
Ic1cc(C=Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)cc(c1)C=Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
707
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
632.288g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
632.714g/mol
Monoisotopic Mass:
632.288g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
13.8
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