4-Hydroxy-3,5-diiodophenylacetic acid

CAT: 0127-BUP22413-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP22413-01Size:5 mg

Selected

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

Quick Request Actions

CAS Number

1948-39-6

Purity

≥98%

Smiles

O=C (O) CC1=CC (I) =C (O) C (I) =C1

Chemical Information

4-Hydroxy-3,5-diiodobenzeneacetic acid

CAS Number	1948-39-6
PubChem CID	74759
IUPAC Name	2-(4-hydroxy-3,5-diiodophenyl)acetic acid
Molecular Formula	C8H6I2O3
Molecular Weight	403.94
XLogP	2.3
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	186

SMILES

C1=C(C=C(C(=C1I)O)I)CC(=O)O

InChI

InChI=1S/C8H6I2O3/c9-5-1-4(3-7(11)12)2-6(10)8(5)13/h1-2,13H,3H2,(H,11,12)

InChIKey

IGWIPEUDVOXYDO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1948-39-6

CID: 74759

Formula: C8H6I2O3

MW: 403.94

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	403.94
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	403.84064
Monoisotopic Mass	403.84064
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	186
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
OR1032462-01	3-Hydroxy-4,5-dimethoxybenzoic acid
OR936362-01	4-Hydroxy-3,5-dimethylbenzoic acid
OR360302	4-Hydroxy-3,5-dimethylphenylboronic acid
OR1072393-01	4-Hydroxy-3,5-diisopropylbenzoic acid
OR1006504	4-Hydroxy-3,5-dinitrobenzoic acid
OR80464-01	4-Hydroxy-3,5-diiodobenzoic acid
OR1099928-01	3-Bromo-4-hydroxy-5-methylbenzoic acid
OR1034938-01	4-Chloro-3-hydroxy-5-nitrobenzoic acid
OR40564-01	3-Chloro-4-hydroxy-5-methoxybenzoic acid
OR89813-01	4-Hydroxy-3-methoxy-5-nitrobenzoic acid

Catalog	Name
T205899-01	4-Hydroxy-3,5-diiodophenylacetic acid
TRC-H942963-500MG	a-Hydroxy-4-(4-hydroxy-3,5-dinitrophenoxy)-3,5-diiodo-benzenepropanoic Acid
469405-01	α-Hydroxy-4- (4-hydroxy-3, 5-dinitrophenoxy) -3, 5-diiodo-benzenepropanoic Acid
278779-01	4-Hydroxy-3,5-dimethylbenzoic acid
TRC-H928535-50MG	4-Hydroxy-3,5-dipropylbenzoic acid
sc-352342A	3-Hydroxy-4,5-dimethoxybenzoic acid
432666	4-Hydroxy-3,5-dimethylpicolinic Acid
432665-01	4-Hydroxy-3,5-dimethylphenylboronic acid
H11087-01	3-Hydroxy-4 5-dimethoxybenzoic acid
FH66633-01	Hydroxy-[4- (4-hydroxy-5-bromo-3-iodophenoxy) -3,5-diiodophenyl]acetic acid