2- (2-Iodophenyl) ethan-1-ol

CAT: 0127-OR82578-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR82578-01Size:100 mg

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CAS Number

26059-40-5

MDL Number

MFCD12031769

Purity

97%

Smiles

OCCC1=CC=CC=C1I

Chemical Information

2-(2-Iodophenyl)ethan-1-ol

CAS Number	26059-40-5
PubChem CID	11064750
IUPAC Name	2-(2-iodophenyl)ethanol
Molecular Formula	C8H9IO
Molecular Weight	248.06
XLogP	2.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	95

SMILES

C1=CC=C(C(=C1)CCO)I

InChI

InChI=1S/C8H9IO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2

InChIKey

WUQBSMKQSLCUFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26059-40-5

CID: 11064750

Formula: C8H9IO

MW: 248.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.06
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	247.96981
Monoisotopic Mass	247.96981
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	95.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1027306-01	1- (3-Iodophenyl) Ethan-1-Ol
PC103845-01	(R) -1- (5-Fluoro-2-iodophenyl) ethan-1-ol
PC103149-01	(S) -1- (5-Fluoro-2-iodophenyl) ethan-1-ol
OR1047672-01	(S) -1- (4-Iodophenyl) ethan-1-ol
OR1039127-01	(1r) -1- (4-Iodophenyl) ethan-1-ol
OR1001301-01	(R) -2-Amino-2- (4-iodophenyl) ethan-1-ol hydrochloride
OR82426-01	(S) -2-Amino-2- (4-iodophenyl) ethan-1-ol hydrochloride
OR303347-01	2- (Octadecyloxy) ethan-1-ol
OR1044796-01	2- (Didodecylamino) ethan-1-ol
PC106811	2- (Pentafluorosulfanyl) ethan-1-ol

Catalog	Name
DCA20729-01	1- (4-Iodophenyl) ethan-1-ol
NKD21369-01	2-Amino-2- (2-iodophenyl) ethan-1-ol hydrochloride
EEA01325-01	(1S) -1- (4-Iodophenyl) ethan-1-ol
MRD27052-01	2-Amino-2- (3-iodophenyl) ethan-1-ol hydrochloride
JBD31355-01	1- (4-Fluoro-3-iodophenyl) ethan-1-ol
SAD50705-01	2- (Cyclopentanesulfonyl) ethan-1-ol
RG-A262082-01	2- (Dibenzylamino) Ethan-1-Ol
sc-340305	2- (hexylamino) ethan-1-ol
sc-340303	2- (heptylamino) ethan-1-ol
BAA46255-01	2- (Dodecylsulfanyl) ethan-1-ol