CAS 5159-41-1 | 2-Iodobenzyl alcohol | CAS Number 5159-41-1

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5159-41-1 | 2-Iodobenzyl alcohol

CAS No: 5159-41-1 Catalog No: AG00DEO5 MDL No:MFCD00004610

Product Description

Catalog Number:

AG00DEO5

Chemical Name:

2-Iodobenzyl alcohol

CAS Number:

5159-41-1

Molecular Formula:

C7H7IO

Molecular Weight:

234.0344

MDL Number:

MFCD00004610

IUPAC Name:

(2-iodophenyl)methanol

InChI:

InChI=1S/C7H7IO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

InChI Key:

WZCXOBMFBKSSFA-UHFFFAOYSA-N

SMILES:

OCc1ccccc1I

EC Number:

225-933-2

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.954g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.036g/mol

Monoisotopic Mass:

233.954g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
A new structural theme in C2-symmetric HIV-1 protease inhibitors: ortho-substituted P1/P1' side chains.	Bioorganic & medicinal chemistry 20060801
Palladium-catalyzed multistep reactions involving ring closure of 2-iodophenoxyallenes and ring opening of bicyclic alkenes.	Organic letters 20060216
Synthesis of seven-membered lactones via nickel- and zinc-catalyzed highly regio- and stereoselective cyclization of 2-iodobenzyl alcohols with propiolates.	Journal of the American Chemical Society 20020522