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213700-06-2 | Benzene, 1,4-dibutyl-2,5-diiodo-
CAS No: 213700-06-2 Catalog No: AG007QQ5 MDL No:
Product Description
Catalog Number:
AG007QQ5
Chemical Name:
Benzene, 1,4-dibutyl-2,5-diiodo-
CAS Number:
213700-06-2
Molecular Formula:
C14H20I2
Molecular Weight:
442.1175
IUPAC Name:
1,4-dibutyl-2,5-diiodobenzene
InChI:
InChI=1S/C14H20I2/c1-3-5-7-11-9-14(16)12(8-6-4-2)10-13(11)15/h9-10H,3-8H2,1-2H3
InChI Key:
OUUUSNMXKNGYBX-UHFFFAOYSA-N
SMILES:
CCCCc1cc(I)c(cc1I)CCCC
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.965g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.123g/mol
Monoisotopic Mass:
441.965g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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