2-Iodophenylacetic acid

CAT: 0024-sc-225434Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-225434Size:5 g

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CAS Number

18698-96-9

Chemical Information

2-Iodophenylacetic acid

CAS Number	18698-96-9
PubChem CID	2780090
IUPAC Name	2-(2-iodophenyl)acetic acid
Molecular Formula	C8H7IO2
Molecular Weight	262.04
XLogP	2.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	147

SMILES

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

InChI

InChI=1S/C8H7IO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

IUHXGZHKSYYDIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18698-96-9

CID: 2780090

Formula: C8H7IO2

MW: 262.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.04
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	261.94908
Monoisotopic Mass	261.94908
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147
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
TRC-I717530-5G	2-Iodophenylacetic Acid
79692309-5g	4-Iodophenylacetic acid
PC99543-01	2'-Fluoro-3'-iodophenylacetic acid
abx188391-01	3-Iodophenylacetic Acid
PC50230-01	2-Fluoro-4-iodophenylacetic acid
OR400044	4-Bromo-2-iodophenylacetic acid
OR400527	2-Bromo-3-iodophenylacetic acid
OR400042-01	2-Bromo-5-iodophenylacetic acid
I03650-01	P-Iodophenylacetic acid 95%
PC500711	2,3-Difluoro-4-iodophenylacetic acid