4- (4-Iodophenoxy) butanoic acid

CAT: 0926-GEB84794-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-GEB84794-01Size:0.5 g

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CAS Number

731847-94-2

MDL Number

MFCD11182804

Smiles

C1=CC (=CC=C1OCCCC (=O) O) I

Molecular Formula

C10H11IO3

Molecular Weight

306.1 g/mol

Controlled

Yes

Chemical Information

4-(4-Iodophenoxy)butanoic acid

CAS Number	731847-94-2
PubChem CID	22915474
IUPAC Name	4-(4-iodophenoxy)butanoic acid
Molecular Formula	C10H11IO3
Molecular Weight	306.10
XLogP	2.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	176

SMILES

C1=CC(=CC=C1OCCCC(=O)O)I

InChI

InChI=1S/C10H11IO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)

InChIKey

KNJVONAIYWOGAG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 731847-94-2

CID: 22915474

Formula: C10H11IO3

MW: 306.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.10
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	305.97529
Monoisotopic Mass	305.97529
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	176
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
FCA57999-01	4- (4-Methoxyphenoxy) butanoic acid
EBA19368-01	4- (4-Chlorobenzenesulfonyl) butanoic acid
FN130985-01	4- (4-Nitrophenoxy) butanoic acid
FF80324-01	4- (4-Fluorophenoxy) Butanoic Acid
FF105063	4- (4-fluorophenyl) butanoic Acid
FB54217-01	4- (4-Bromophenoxy) butanoic acid
YZB05479-01	4- (4-Bromobenzenesulfinyl) butanoic acid
FH140115	4- (4-Hydroxyphenyl) butanoic acid
HWB77647-01	4- (4-Methanesulfonylphenoxy) butanoic acid

Catalog	Name
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OR22610-01	4- (Acetylamino) butanoic acid
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429370-01	4- (Benzyloxy) butanoic acid
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OR1005908	4- (Phenylthio) butanoic acid