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834155-50-9 | Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis[2-iodo-4,5-dimethyl-
CAS No: 834155-50-9 Catalog No: AG0054GN MDL No:
Product Description
Catalog Number:
AG0054GN
Chemical Name:
Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis[2-iodo-4,5-dimethyl-
CAS Number:
834155-50-9
Molecular Formula:
C20H16I2
Molecular Weight:
510.1500
IUPAC Name:
1-iodo-2-[4-(2-iodo-4,5-dimethylphenyl)buta-1,3-diynyl]-4,5-dimethylbenzene
InChI:
InChI=1S/C20H16I2/c1-13-9-17(19(21)11-15(13)3)7-5-6-8-18-10-14(2)16(4)12-20(18)22/h9-12H,1-4H3
InChI Key:
DQYRFHQEFFMLNQ-UHFFFAOYSA-N
SMILES:
Ic1cc(C)c(cc1C#CC#Cc1cc(C)c(cc1I)C)C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.934g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
510.157g/mol
Monoisotopic Mass:
509.934g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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