3- (4-Chlorophenoxy) benzoic acid

CAT: 0926-EFA76491-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-EFA76491-01Size:50 mg

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CAS Number

129764-91-6

MDL Number

MFCD06203217

Smiles

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

Molecular Formula

C13H9ClO3

Molecular Weight

248.66 g/mol

Controlled

Chemical Information

3-(4-Chlorophenoxy)benzoic acid

CAS Number	129764-91-6
PubChem CID	15354826
IUPAC Name	3-(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	261

SMILES

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

InChI

InChI=1S/C13H9ClO3/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8H,(H,15,16)

InChIKey

ICBGRQBEFICVLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 129764-91-6

CID: 15354826

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	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
BAA14558-01	4- (3-Chlorophenoxy) -benzoic acid
JFC43104-01	3-Chloro-4- (4-chlorophenoxy) benzoic acid
DXB35999-01	3-Amino-4- (4-chlorophenoxy) benzoic acid
MJB71326-01	3-[ (4-Bromo-2-chlorophenoxy) methyl]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
UCA19964-01	5-Chloro-2- (3-chlorophenoxy) benzoic acid
HGB48099-01	2-[2- (3-Chlorophenoxy) acetamido]benzoic acid
CEB68954-01	4- (((4- (2-Chlorophenoxy) phenyl) sulfonamido) methyl) benzoic Acid

Catalog	Name
sc-226379	4- (4-Chlorophenoxy) benzoic acid
428578-01	4- (2-Chlorophenoxy) benzoic acid
OR452063-01	4- (3-Chlorophenoxy) -benzoic acid
232529-01	4- (4-Chlorophenoxy) Benzoic Acid 99+% (HPLC)
232424-01	4- (2-Chlorophenoxy) Benzoic Acid 99+% (HPLC)
OR1083396-01	3-chloro-4- (2-chlorophenoxy) benzoic acid
OR82730-01	4- ((4- (2-Chlorophenoxy) phenyl) sulfonamido) benzoic acid
OR452062-01	2- (2-Chlorophenoxy) -benzoic acid
OR83207-01	4- (((4- (2-Chlorophenoxy) phenyl) sulfonamido) methyl) benzoic acid
OR83463-01	3- ((4- (2-Chlorophenoxy) phenyl) sulfonamido) benzoic acid