2- (3-Iodophenoxy) acetic acid

CAT: 0926-BAA87893-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-BAA87893-01Size:0.5 g

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CAS Number

1878-93-9

MDL Number

MFCD06823828

Smiles

C1=CC (=CC (=C1) I) OCC (=O) O

Molecular Formula

C8H7IO3

Molecular Weight

278.04 g/mol

Controlled

Chemical Information

2-(3-Iodophenoxy)acetic acid

CAS Number	1878-93-9
PubChem CID	22928717
IUPAC Name	2-(3-iodophenoxy)acetic acid
Molecular Formula	C8H7IO3
Molecular Weight	278.04
XLogP	2.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

C1=CC(=CC(=C1)I)OCC(=O)O

InChI

InChI=1S/C8H7IO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

FNKRPPVPTWVSFF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1878-93-9

CID: 22928717

Formula: C8H7IO3

MW: 278.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.04
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	277.94399
Monoisotopic Mass	277.94399
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
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
FI70889-01	(4-Iodophenoxy) acetic acid
DEA44061-01	3- (2-Iodophenoxy) propanoic acid
UTB42617-01	3- (3-Iodophenoxy) propanoic acid
UTB23582-01	2- (3-Iodophenoxy) aniline
FH66633-01	Hydroxy-[4- (4-hydroxy-5-bromo-3-iodophenoxy) -3,5-diiodophenyl]acetic acid
HNA37079-01	1- (3-Iodophenoxy) -2-nitrobenzene
KAA44247-01	(2S) -2- (4-Iodophenoxy) propanoic acid
ZSC47998-01	2- (3-Phenylcyclobutyl) acetic acid
BAA87878-01	2- (3-Methanesulfonylphenoxy) acetic acid
JBA95629-01	2- (3-Formylphenyl) acetic acid

Catalog	Name
JH316291	2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
T21217-01	Acetic acid, (3-methylphenoxy) -
423959-01	(3-Aminophenoxy) acetic Acid
266429-01	(3-Benzyloxyphenyl) acetic acid
JH520032	Indole-3-acetic acid
RG-R080400-01	Rhodanine-3-Acetic Acid
TRC-N502225-1G	(3-Nitrophenyl)acetic Acid
sc-346944	(3-furoylamino) acetic acid
sc-346999	(3-isopropylphenoxy) acetic acid
OR911178-01	(3-Ethoxyphenyl) acetic acid