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823180-26-3 | Benzene, 1-[(4,4-diiodobutyl)sulfonyl]-4-methyl-
CAS No: 823180-26-3 Catalog No: AG004ZJY MDL No:
Product Description
Catalog Number:
AG004ZJY
Chemical Name:
Benzene, 1-[(4,4-diiodobutyl)sulfonyl]-4-methyl-
CAS Number:
823180-26-3
Molecular Formula:
C11H14I2O2S
Molecular Weight:
464.1016
IUPAC Name:
1-(4,4-diiodobutylsulfonyl)-4-methylbenzene
InChI:
InChI=1S/C11H14I2O2S/c1-9-4-6-10(7-5-9)16(14,15)8-2-3-11(12)13/h4-7,11H,2-3,8H2,1H3
InChI Key:
IWOOPBGQVMERIY-UHFFFAOYSA-N
SMILES:
IC(CCCS(=O)(=O)c1ccc(cc1)C)I
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.88g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.1g/mol
Monoisotopic Mass:
463.88g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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