2- (4-Aminophenoxy) benzoic acid

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CAS Number

67724-03-2

Synonyms

4- (2-Carboxyphenoxy) aniline, 4-Amino-2'-carboxydiphenyl ether

MDL Number

MFCD06659583

Purity

=95%

Smiles

Nc1ccc(Oc2ccccc2C(=O)O)cc1

Chemical Information

2-(4-aminophenoxy)benzoic Acid

CAS Number	67724-03-2
PubChem CID	2764338
IUPAC Name	2-(4-aminophenoxy)benzoic acid
Molecular Formula	C13H11NO3
Molecular Weight	229.23
XLogP	2.4
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	2
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)N

InChI

InChI=1S/C13H11NO3/c14-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(15)16/h1-8H,14H2,(H,15,16)

InChIKey

QHUNNXCUJKOGMN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67724-03-2

CID: 2764338

Formula: C13H11NO3

MW: 229.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.23
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	229.07389321
Monoisotopic Mass	229.07389321
Topological Polar Surface Area	72.6 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
OR1102020-01	4- (4-Aminophenoxy) benzoic acid
OR1065717-01	3,5-Bis (4-aminophenoxy) benzoic acid
OR73220-01	2- (4-Aminophenoxy) acetic acid
OR21768-01	2- (4-aminophenoxy) -2-methylpropanoic acid
OR59345-01	4- (2-Aminophenoxy) benzeneboronic acid hydrochloride
OR360656	[4- (4-Aminophenoxy) phenyl]boronic acid
OR1101643-01	4- (2-Aminophenoxy) phthalonitrile
OR1065211-01	2- (4-Aminophenoxy) acetamide
OR1069712-01	2- (4-Aminophenoxy) ethanol
OR1102015-01	2- (4-Methylphenylsulfonamido) benzoic acid

Catalog	Name
429004-01	4- (4-Aminophenoxy) benzoic acid hydrochloride
sc-486021	3,5-Bis (4-aminophenoxy) benzoic Acid
GTR19223814-01	Benzoic acid, p- (5- (p-aminophenoxy) pentyloxy) -, hydrochloride
MBS5780038	Benzoic acid, p-(5-(p-aminophenoxy)pentyloxy)-, hydrochloride
C6536-1000	4-(Aminomethyl)benzoic acid
ZHA53500-01	4- (Methylsulfonylmethyl) benzoic acid
Q-1185.0005	4-Hydroxymethyl-benzoic acid
QAA87243-01	4- (Nonyloxy) benzoic acid
FC142911-01	4- (Chlorosulfonyl) benzoic acid
GBA71976	4- (Phenoxymethyl) benzoic acid