1- (4-Hydroxy-3-iodophenyl) ethan-1-one

CAT: 0127-OR1038027-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1038027-01Size:1 g

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CAS Number

62615-24-1

Purity

97%

Smiles

CC(C1=CC=C(C(I)=C1)O)=O

Chemical Information

1-(4-Hydroxy-3-iodophenyl)ethanone

CAS Number	62615-24-1
PubChem CID	1051515
IUPAC Name	1-(4-hydroxy-3-iodophenyl)ethanone
Molecular Formula	C8H7IO2
Molecular Weight	262.04
XLogP	1.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	158

SMILES

CC(=O)C1=CC(=C(C=C1)O)I

InChI

InChI=1S/C8H7IO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3

InChIKey

SJRAJHOOMLHHQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62615-24-1

CID: 1051515

Formula: C8H7IO2

MW: 262.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.04
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	261.94908
Monoisotopic Mass	261.94908
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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
OR77082-01	1- (2-Hydroxy-5-iodophenyl) ethan-1-one
OR43694-01	1- (3-Chloro-4-iodophenyl) ethan-1-one
OR1049360-01	1- (4-Chloro-2-iodophenyl) ethan-1-one
OR019983-01	1- (2-Chloro-4-iodophenyl) ethan-1-one
OR1047672-01	(S) -1- (4-Iodophenyl) ethan-1-ol
OR77158-01	(R) -1- (4-iodophenyl) ethan-1-amine
OR1039127-01	(1r) -1- (4-Iodophenyl) ethan-1-ol
OR1047030-01	1- (4-Iodophenyl) ethan-1-amine hydrochloride
OR79993-01	1- (3-Bromo-5-iodophenyl) ethan-1-one
OR1101191	1- (3-hydroxy-4-iodophenyl) ethanone

Catalog	Name
PBA73066-01	1- (2-Hydroxy-4-iodophenyl) ethan-1-one
ZXC09642-01	1- (4-Fluoro-3-iodophenyl) ethan-1-one
DCA20729-01	1- (4-Iodophenyl) ethan-1-ol
JH918377	1- (3-Hydroxy-4-iodophenyl) ethanone
JBD31355-01	1- (4-Fluoro-3-iodophenyl) ethan-1-ol
EEA01325-01	(1S) -1- (4-Iodophenyl) ethan-1-ol
QCA03320-01	1-[4-Hydroxy-3- (methoxymethyl) phenyl]ethan-1-one
PEA01282-01	1- (3-Hydroxy-4,5-dimethoxyphenyl) ethan-1-one
FAA38455-01	1- (2-Hydroxy-3,4-dimethylphenyl) ethan-1-one
LAC79229-01	2-Bromo-1- (4-bromo-2-iodophenyl) ethan-1-one