2-Hydroxy-6-iodobenzoic acid

CAT: 0127-OR400171Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

89677-81-6

Synonyms

6-Iodosalicylic acid

MDL Number

MFCD17000094

Purity

=95%

Smiles

OC(=O)c1c(O)cccc1I

Storage Conditions

Store at 2-8°C

Chemical Information

2-Hydroxy-6-iodobenzoic acid

CAS Number	89677-81-6
PubChem CID	23047001
IUPAC Name	2-hydroxy-6-iodobenzoic acid
Molecular Formula	C7H5IO3
Molecular Weight	264.02
XLogP	2.3
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	160

SMILES

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

InChI

InChI=1S/C7H5IO3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,9H,(H,10,11)

InChIKey

KQINMSGNJAAGCQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89677-81-6

CID: 23047001

Formula: C7H5IO3

MW: 264.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.02
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	263.92834
Monoisotopic Mass	263.92834
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160
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
OR1075804	3-Hydroxy-2-iodobenzoic acid
OR400086-01	5-Hydroxy-2-iodobenzoic acid
OR400966-01	2-Chloro-6-iodobenzoic acid
OR400135-01	2-Amino-6-iodobenzoic acid
PC3782-01	2-Fluoro-6-iodobenzoic acid
OR40647-01	2-Bromo-6-iodobenzoic acid
OR9769-01	4-Hydroxy-3-iodobenzoic acid
OR25974-01	3-Hydroxy-4-iodobenzoic acid
PC1022311-01	2-Fluoro-3-hydroxy-4-iodobenzoic acid
PC500458	3-Fluoro-2-hydroxy-4-iodobenzoic acid