2-Hydroxy-4-iodobenzoic acid

CAT: 0024-sc-283164Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-283164Size:5 g

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CAS Number

16870-28-3

Chemical Information

2-Hydroxy-4-iodobenzoic acid

CAS Number	16870-28-3
PubChem CID	72874
IUPAC Name	2-hydroxy-4-iodobenzoic acid
Molecular Formula	C7H5IO3
Molecular Weight	264.02
XLogP	3.3
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=C1I)O)C(=O)O

InChI

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

InChIKey

UQOZVZTUJNRMBV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16870-28-3

CID: 72874

Formula: C7H5IO3

MW: 264.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.02
XLogP3	3.3
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
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PC1022311-01	2-Fluoro-3-hydroxy-4-iodobenzoic acid
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AAA52079-01	2-Hydroxy-3-iodobenzoic acid
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RG-E141233-01	4-Iodobenzoic acid