4-Hydroxy-3-iodobenzonitrile

CAT: 0127-OR46135-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR46135-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

2296-23-3

Synonyms

4-Cyano-2-iodophenol

MDL Number

MFCD11054826

Purity

97%

Smiles

Oc1ccc(cc1I)C#N

Chemical Information

4-Hydroxy-3-iodobenzonitrile

CAS Number	2296-23-3
PubChem CID	10955815
IUPAC Name	4-hydroxy-3-iodobenzonitrile
Molecular Formula	C7H4INO
Molecular Weight	245.02
XLogP	1.9
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	162

SMILES

C1=CC(=C(C=C1C#N)I)O

InChI

InChI=1S/C7H4INO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H

InChIKey

XAONDNGLTPLRKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2296-23-3

CID: 10955815

Formula: C7H4INO

MW: 245.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.02
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	244.93376
Monoisotopic Mass	244.93376
Topological Polar Surface Area	44 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	162
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
OR91560-01	3-Hydroxy-4-iodobenzonitrile
OR1005727	2-Hydroxy-4-iodobenzonitrile
OR1040425	4-Hydroxy-2-iodobenzonitrile
PC500692	3-Fluoro-2-hydroxy-4-iodobenzonitrile
OR1096599-01	3-hydroxy-5-iodobenzonitrile
PC1026291-01	2-Bromo-3-fluoro-4-hydroxy-5-iodobenzonitrile
OR1046983-01	2-Chloro-4-hydroxy-5-iodobenzonitrile
PC1004316-01	2-Fluoro-4-hydroxy-5-iodobenzonitrile
OR1098898-01	5-Chloro-2-hydroxy-3-iodobenzonitrile
OR400149-01	2-Hydroxy-6-iodobenzonitrile