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827033-88-5 | Benzene, [(1Z,3Z)-2-hexyl-4-iodo-1,3-decadienyl]-
CAS No: 827033-88-5 Catalog No: AG0050VF MDL No:
Product Description
Catalog Number:
AG0050VF
Chemical Name:
Benzene, [(1Z,3Z)-2-hexyl-4-iodo-1,3-decadienyl]-
CAS Number:
827033-88-5
Molecular Formula:
C22H33I
Molecular Weight:
424.4019
IUPAC Name:
(2-hexyl-4-iododeca-1,3-dienyl)benzene
InChI:
InChI=1S/C22H33I/c1-3-5-7-10-16-21(18-20-14-11-9-12-15-20)19-22(23)17-13-8-6-4-2/h9,11-12,14-15,18-19H,3-8,10,13,16-17H2,1-2H3
InChI Key:
DLCHWHRGDCXYSG-UHFFFAOYSA-N
SMILES:
CCCCCC/C(=C/C(=C\c1ccccc1)/CCCCCC)/I
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.41g/mol
Monoisotopic Mass:
424.163g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
10.3
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