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136859-32-0 | Phenol, 2-iodo-, 1-(4-methylbenzenesulfonate)
CAS No: 136859-32-0 Catalog No: AG0012HH MDL No:MFCD07779037
Product Description
Catalog Number:
AG0012HH
Chemical Name:
Phenol, 2-iodo-, 1-(4-methylbenzenesulfonate)
CAS Number:
136859-32-0
Molecular Formula:
C13H11IO3S
Molecular Weight:
374.1941
MDL Number:
MFCD07779037
IUPAC Name:
(2-iodophenyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H11IO3S/c1-10-6-8-11(9-7-10)18(15,16)17-13-5-3-2-4-12(13)14/h2-9H,1H3
InChI Key:
AANOMPHCDVIEHA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1I
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.947g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.192g/mol
Monoisotopic Mass:
373.947g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Preparation, X-ray structure, and oxidative reactivity of N-(2-iodylphenyl)tosylamides and 2-iodylphenyl tosylate: iodylarenes stabilized by ortho-substitution with a sulfonyl group. | The Journal of organic chemistry 20091106 |
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