4- (4-Aminophenoxy) benzoic acid

CAT: 0127-OR1102020-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1102020-01Size:250 mg

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CAS Number

28999-69-1

MDL Number

MFCD00446982

Purity

96%

Smiles

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

Chemical Information

4-(4-Aminophenoxy)benzoic acid

CAS Number	28999-69-1
PubChem CID	723031
IUPAC Name	4-(4-aminophenoxy)benzoic acid
Molecular Formula	C13H11NO3
Molecular Weight	229.23
XLogP	3.2
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	253

SMILES

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

InChI

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

InChIKey

DVFCGSZRLJQHJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28999-69-1

CID: 723031

Formula: C13H11NO3

MW: 229.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.23
XLogP3	3.2
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	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
OR14361	2- (4-Aminophenoxy) benzoic acid
OR1065717-01	3,5-Bis (4-aminophenoxy) benzoic acid
OR360656	[4- (4-Aminophenoxy) phenyl]boronic acid
OR73220-01	2- (4-Aminophenoxy) acetic acid
OR59345-01	4- (2-Aminophenoxy) benzeneboronic acid hydrochloride
OR21768-01	2- (4-aminophenoxy) -2-methylpropanoic acid
OR1061159-01	4- (4-Aminophenoxy) picolinonitrile
OR91446-01	4- (4-Aminophenoxy) benzonitrile
OR1093550-01	4- (4-Methylbenzyl) benzoic acid
OR90539-01	4- (4-Hydroxyphenoxy) 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
Q-1185.0005	4-Hydroxymethyl-benzoic acid
ZHA53500-01	4- (Methylsulfonylmethyl) benzoic acid
XAA68348-01	4- (Propylsulfanyl) benzoic acid
FC142911-01	4- (Chlorosulfonyl) benzoic acid
QAA87243-01	4- (Nonyloxy) benzoic acid