4- (4-Fluorophenoxy) benzoic acid

CAT: 0024-sc-226383Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226383Size:1 g

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CAS Number

129623-61-6

Chemical Information

4-(4-Fluorophenoxy)benzoic acid

CAS Number	129623-61-6
PubChem CID	5005163
IUPAC Name	4-(4-fluorophenoxy)benzoic acid
Molecular Formula	C13H9FO3
Molecular Weight	232.21
XLogP	4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	253

SMILES

C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)F

InChI

InChI=1S/C13H9FO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)

InChIKey

YYKALFXKRWCSLY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 129623-61-6

CID: 5005163

Formula: C13H9FO3

MW: 232.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.21
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	232.05357231
Monoisotopic Mass	232.05357231
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	253
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
sc-471481	3- (4-Fluorophenoxy) Benzoic Acid
sc-474892	2- (4-Fluorophenoxy) Benzoic Acid
sc-232237	4- (4-Fluorophenoxy) phenylacetic acid
sc-276759	4- (4-fluorophenoxy) butanoic acid
sc-225866	3- (4-Fluorophenoxy) propionic acid
sc-347856A	4- (3-fluorophenoxy) butanoic acid
sc-347655	4- (2-fluorophenoxy) butanoic acid
sc-347655A	4- (2-fluorophenoxy) butanoic acid
sc-320782	2- (4-Fluorophenoxy) butanoic acid
sc-273877	2- (4-Fluorophenoxy) nicotinic acid

Catalog	Name
429154-01	4- (4-Fluorophenoxy) benzoic acid
PC200576	4- (2-Fluorophenoxy) benzoic acid
413769-01	2- (4-Fluorophenoxy) benzoic acid
277880-01	3- (4-Fluorophenoxy) Benzoic Acid
PC1011481	4- ((4-fluorophenoxy) methyl) benzoic acid
PC1022477-01	4- ((3-fluorophenoxy) methyl) benzoic acid
PC1022393	4- ((2-fluorophenoxy) methyl) benzoic acid
232553-01	4- (4-Fluorophenoxy) Benzoic Acid 98+% (HPLC)
ZTB68777-01	4-Bromo-2- (4-fluorophenoxy) benzoic acid
XIB72951-01	5-Chloro-2- (4-fluorophenoxy) benzoic acid