4- (4-Chlorophenoxy) benzoic acid

CAT: 0024-sc-226379Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226379Size:1 g

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CAS Number

21120-67-2

Chemical Information

4-(4-Chlorophenoxy)benzoic acid

CAS Number	21120-67-2
PubChem CID	3798102
IUPAC Name	4-(4-chlorophenoxy)benzoic acid
Molecular Formula	C13H9ClO3
Molecular Weight	248.66
XLogP	4.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
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)Cl

InChI

InChI=1S/C13H9ClO3/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

YVVCMTFJWOYNJW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21120-67-2

CID: 3798102

Formula: C13H9ClO3

MW: 248.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.66
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	248.0240218
Monoisotopic Mass	248.0240218
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-471619	4- (2-Chlorophenoxy) benzoic Acid
sc-347984A	4- (4-chlorophenoxy) butanoic acid
sc-347984	4- (4-chlorophenoxy) butanoic acid
sc-273854	2- (4-Chlorophenoxy) nicotinic acid
sc-273855	2- (4-chlorophenoxy) propanoic acid
sc-282641	2- (4-chlorophenoxy) butanoic acid
sc-234043	Bis (4-chlorophenoxy) acetic acid
sc-231325	3- (4-Chlorophenoxy) propionic acid
sc-501155	2- (4- (4-Chlorophenoxy) phenyl) acetic Acid
sc-226389	4- (4-Methylphenoxy) benzoic acid

Catalog	Name
269982-01	4- (4-Chlorophenoxy) Benzoic Acid
OR12952	4- (2-chlorophenoxy) benzoic acid
OR452063-01	4- (3-Chlorophenoxy) -benzoic acid
EFA76491-01	3- (4-Chlorophenoxy) benzoic acid
232529-01	4- (4-Chlorophenoxy) Benzoic Acid 99+% (HPLC)
JFC43104-01	3-Chloro-4- (4-chlorophenoxy) benzoic acid
DXB35999-01	3-Amino-4- (4-chlorophenoxy) benzoic acid
UCA76409-01	2-[2- (4-Chlorophenoxy) acetamido]benzoic acid
SEA29752-01	2-Amino-5- (4-chlorophenoxy) benzoic acid
HIB73807-01	4-[ (4-Bromo-2-chlorophenoxy) methyl]benzoic acid