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650597-43-6 | Benzene, 1-iodo-4-[2-[4-(octylsulfonyl)phenyl]ethenyl]-
CAS No: 650597-43-6 Catalog No: AG00H63O MDL No:
Product Description
Catalog Number:
AG00H63O
Chemical Name:
Benzene, 1-iodo-4-[2-[4-(octylsulfonyl)phenyl]ethenyl]-
CAS Number:
650597-43-6
Molecular Formula:
C22H27IO2S
Molecular Weight:
482.4180
IUPAC Name:
1-[2-(4-iodophenyl)ethenyl]-4-octylsulfonylbenzene
InChI:
InChI=1S/C22H27IO2S/c1-2-3-4-5-6-7-18-26(24,25)22-16-12-20(13-17-22)9-8-19-10-14-21(23)15-11-19/h8-17H,2-7,18H2,1H3
InChI Key:
DVSDVMQNAPYYPN-UHFFFAOYSA-N
SMILES:
CCCCCCCCS(=O)(=O)c1ccc(cc1)C=Cc1ccc(cc1)I
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.078g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
482.42g/mol
Monoisotopic Mass:
482.078g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.5
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