3-hydroxy-5-iodobenzonitrile

CAT: 0127-OR1096599-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1096599-01Size:250 mg

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

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CAS Number

1243442-73-0

Purity

95%

Smiles

C1c (cc (cc1O) I) C#N

Chemical Information

3-Hydroxy-5-iodobenzonitrile

CAS Number	1243442-73-0
PubChem CID	23037942
IUPAC Name	3-hydroxy-5-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=C(C=C(C=C1O)I)C#N

InChI

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

InChIKey

ZNOWOWZVEDXOSG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1243442-73-0

CID: 23037942

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
OR1031908-01	2-Hydroxy-5-iodobenzonitrile
OR1098898-01	5-Chloro-2-hydroxy-3-iodobenzonitrile
OR46135-01	4-Hydroxy-3-iodobenzonitrile
OR91560-01	3-Hydroxy-4-iodobenzonitrile
OR1046983-01	2-Chloro-4-hydroxy-5-iodobenzonitrile
PC1026291-01	2-Bromo-3-fluoro-4-hydroxy-5-iodobenzonitrile
PC1004316-01	2-Fluoro-4-hydroxy-5-iodobenzonitrile
PC9104-01	3-Fluoro-5-iodobenzonitrile
OR15035-01	3-Chloro-5-iodobenzonitrile
OR63033-01	3-Bromo-5-iodobenzonitrile

Catalog	Name
FH69894-01	2-Hydroxy-5-iodobenzonitrile
KIA96275	3-Hydroxy-4-iodobenzonitrile
280155-01	4-Hydroxy-3-Iodobenzonitrile
425713-01	3-Fluoro-5-iodobenzonitrile
425070-01	3-Chloro-5-iodobenzonitrile
426133-01	3-Iodobenzonitrile
AQB57752-01	2-Amino-3-bromo-5-iodobenzonitrile
sc-336305	4-Amino-3-chloro-5-iodobenzonitrile
sc-321514	2-Amino-5-bromo-3-iodobenzonitrile
sc-321520	2-Amino-5-chloro-3-iodobenzonitrile