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167708-86-3 | Benzene, 1-iodo-2-[(phenylsulfonyl)methyl]-
CAS No: 167708-86-3 Catalog No: AG001XK0 MDL No:
Product Description
Catalog Number:
AG001XK0
Chemical Name:
Benzene, 1-iodo-2-[(phenylsulfonyl)methyl]-
CAS Number:
167708-86-3
Molecular Formula:
C13H11IO2S
Molecular Weight:
358.1947
IUPAC Name:
1-(benzenesulfonylmethyl)-2-iodobenzene
InChI:
InChI=1S/C13H11IO2S/c14-13-9-5-4-6-11(13)10-17(15,16)12-7-2-1-3-8-12/h1-9H,10H2
InChI Key:
ZLTLLAOWAFDBAF-UHFFFAOYSA-N
SMILES:
Ic1ccccc1CS(=O)(=O)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.952g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.193g/mol
Monoisotopic Mass:
357.952g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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