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77144-78-6 | [(2-iodo-2-phenylethyl)sulfonyl]benzene
CAS No: 77144-78-6 Catalog No: AG005DUW MDL No:
Product Description
Catalog Number:
AG005DUW
Chemical Name:
[(2-iodo-2-phenylethyl)sulfonyl]benzene
CAS Number:
77144-78-6
Molecular Formula:
C14H13IO2S
Molecular Weight:
372.2213
IUPAC Name:
[2-(benzenesulfonyl)-1-iodoethyl]benzene
InChI:
InChI=1S/C14H13IO2S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10,14H,11H2
InChI Key:
STLGEHXJOWKWNQ-UHFFFAOYSA-N
SMILES:
IC(c1ccccc1)CS(=O)(=O)c1ccccc1
NSC Number:
4522
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.968g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.22g/mol
Monoisotopic Mass:
371.968g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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