(2S) -2- (4-Chlorophenoxy) propanoic acid

CAT: 0926-VAA42135-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-VAA42135-01Size:50 mg

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CAS Number

20421-35-6

MDL Number

MFCD24479545

Molecular Formula

C9H9ClO3

Molecular Weight

200.62 g/mol

Controlled

Chemical Information

(2S)-2-(4-chlorophenoxy)propanoic acid

CAS Number	20421-35-6
PubChem CID	736072
IUPAC Name	(2S)-2-(4-chlorophenoxy)propanoic acid
Molecular Formula	C9H9ClO3
Molecular Weight	200.62
XLogP	2.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	176

SMILES

C[C@@H](C(=O)O)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)/t6-/m0/s1

InChIKey

DKHJWWRYTONYHB-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 20421-35-6

CID: 736072

Formula: C9H9ClO3

MW: 200.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.62
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	200.0240218
Monoisotopic Mass	200.0240218
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
BBA12932-01	2-[4- (4-Chlorophenoxy) phenoxy]propanoic acid
AAC30024-01	2- (2-Acetyl-4-chlorophenoxy) propanoic acid
NAA79403-01	2- (2-Benzyl-4-chlorophenoxy) propanoic acid
BMB21784-01	3- (2-Bromo-4-chlorophenoxy) propanoic acid
PCA52717-01	(2S) -2- (4-Acetamidobenzenesulfonamido) propanoic acid
KAA44247-01	(2S) -2- (4-Iodophenoxy) propanoic acid
ZAA47014-01	(2S) -2- (4-Methoxyphenyl) propanoic acid
MYB33561-01	(2S) -2- (4-Acetylbenzenesulfonamido) propanoic acid
UGA73683-01	(2S) -2- (4-Phenylphenoxy) propanoic acid
QAA16569-01	(2S) -2- (2,4-Dichlorophenoxy) propanoic acid

Catalog	Name
sc-273855	2- (4-chlorophenoxy) propanoic acid
sc-310651	3-[2- (4-Chlorophenoxy) phenyl]propanoic acid
sc-282620	2- (4-bromo-2-chlorophenoxy) propanoic acid
sc-304566	2- (2-Bromo-4-chlorophenoxy) propanoic acid
OR97883	3-Oxo-3- (4-chlorophenoxy) propanoic acid
sc-344129A	3- (2-chlorophenoxy) propanoic acid
OR94296-01	3- (3-chlorophenoxy) propanoic acid
sc-282473	2- (2-chlorophenoxy) propanoic acid
OR460005-01	(2S) -2- (4-Butylphenyl) propanoic acid
OR82164	3- ((4- (2-Chlorophenoxy) phenyl) sulfonamido) propanoic acid