2- (4-Fluorophenoxy) benzoic acid

CAT: 0127-PC200573Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC200573Size:1 Each

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CAS Number

2795-63-3

MDL Number

MFCD03840025

Purity

=95%

Smiles

OC(=O)c1ccccc1Oc2ccc(F)cc2

Chemical Information

2-(4-Fluorophenoxy)benzoic acid

CAS Number	2795-63-3
PubChem CID	3008367
IUPAC Name	2-(4-fluorophenoxy)benzoic acid
Molecular Formula	C13H9FO3
Molecular Weight	232.21
XLogP	3.2
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	261

SMILES

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

InChI

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

InChIKey

WRWUSRADWXKZGV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2795-63-3

CID: 3008367

Formula: C13H9FO3

MW: 232.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.21
XLogP3	3.2
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	261
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
PC200576	4- (2-Fluorophenoxy) benzoic acid
PC103145-01	4- (4-Fluorophenoxy) benzoic acid
PC1022393	4- ((2-fluorophenoxy) methyl) benzoic acid
PC200575	2- (2-Fluorophenoxy) benzoic acid
PC1011481	4- ((4-fluorophenoxy) methyl) benzoic acid
PC1023276	2- ((2-fluorophenoxy) methyl) benzoic acid
PC1022477-01	4- ((3-fluorophenoxy) methyl) benzoic acid
PC510103	2-[ (3-Fluorophenoxy) methyl]benzoic acid
PC1026208	3- ((2-fluorophenoxy) methyl) benzoic acid
PC1023295-01	3- (3-fluorophenoxy) benzoic acid

Catalog	Name
429154-01	4- (4-Fluorophenoxy) benzoic acid
sc-471481	3- (4-Fluorophenoxy) Benzoic Acid
sc-474892	2- (4-Fluorophenoxy) Benzoic Acid
NLB82884-01	4- (2-Fluorophenoxy) 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
231329-01	3- (4-Fluorophenoxy) Benzoic Acid 99+% (HPLC)
229466-01	2- (4-Fluorophenoxy) Benzoic Acid 99+% (HPLC)
UMB66307-01	4- (2-Cyano-3-fluorophenoxy) benzoic acid