Methyl 2-hydroxy-5-iodobenzoate

CAT: 0127-OR14411-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR14411-01Size:5 g

Selected

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

Quick Request Actions

CAS Number

4068-75-1

Synonyms

Methyl 5-iodosalicylate

MDL Number

MFCD00016462

Purity

97%

Smiles

COC(=O)c1cc(I)ccc1O

Chemical Information

Methyl 5-Iodosalicylate

CAS Number	4068-75-1
PubChem CID	248910
IUPAC Name	methyl 2-hydroxy-5-iodobenzoate
Molecular Formula	C8H7IO3
Molecular Weight	278.04
XLogP	3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

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

InChI

InChI=1S/C8H7IO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3

InChIKey

NRSWJTRJHPRZMH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4068-75-1

CID: 248910

Formula: C8H7IO3

MW: 278.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.04
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	277.94399
Monoisotopic Mass	277.94399
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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
OR400077-01	Methyl 5-hydroxy-2-iodobenzoate
OR1057010-01	Methyl 3-hydroxy-5-iodobenzoate
OR1097264	Methyl 5-bromo-2-hydroxy-3-iodobenzoate
OR4702-01	Methyl 2-hydroxy-4-iodobenzoate
OR303105	Methyl 5-cyano-2-hydroxy-3-iodobenzoate
OR82587-01	Ethyl 2-hydroxy-5-iodobenzoate
OR83439-01	Methyl 3-chloro-4-hydroxy-5-iodobenzoate
OR40561-01	Methyl 4-hydroxy-3-iodobenzoate
OR111325	Methyl 3-hydroxy-4-iodobenzoate
OR15005-01	Methyl 5-bromo-2-iodobenzoate

Catalog	Name
455260-01	Methyl 3-hydroxy-5-iodobenzoate
TRC-M219895-100MG	Methyl 2-Hydroxy-4-iodobenzoate
FM179031-01	Methyl 2-Bromo-5-iodobenzoate
455635-01	Methyl 5-amino-2-iodobenzoate
sc-286305	Methyl-2-chloro-5-iodobenzoate
sc-358293	Methyl 2-amino-5-iodobenzoate
FM41915-01	Methyl 4-hydroxy-3-iodobenzoate
FM137802	Methyl 5-bromo-2-iodobenzoate
QSB10281-01	Methyl 5- (chlorosulfonyl) -2-iodobenzoate
CYB89748	Methyl 5-fluoro-2-iodobenzoate