2-Iodophenol

CAT: 0127-OR4682-02Size: 100 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR4682-02Size:100 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

533-58-4

MDL Number

MFCD00013963

Purity

98%

Smiles

Oc1ccccc1I

Storage Conditions

Store at 2-8°C

Chemical Information

2-Iodophenol

2-iodophenol is an iodophenol and a 2-halophenol.

CAS Number	533-58-4
PubChem CID	10784
IUPAC Name	2-iodophenol
Molecular Formula	C6H5IO
Molecular Weight	220.01
XLogP	2.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	74

SMILES

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

InChI

InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H

InChIKey

KQDJTBPASNJQFQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 533-58-4

CID: 10784

Formula: C6H5IO

MW: 220.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.01
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	219.93851
Monoisotopic Mass	219.93851
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.9
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