3- (3-chlorophenoxy) propanoic acid

CAT: 0127-OR94296-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR94296-01Size:1 g

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CAS Number

7170-50-5

MDL Number

MFCD00151673

Purity

98%

Smiles

O=C(O)CCOC1=CC=CC(Cl)=C1

Chemical Information

3-(3-Chlorophenoxy)propionic acid

CAS Number	7170-50-5
PubChem CID	81599
IUPAC Name	3-(3-chlorophenoxy)propanoic acid
Molecular Formula	C9H9ClO3
Molecular Weight	200.62
XLogP	2.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	172

SMILES

C1=CC(=CC(=C1)Cl)OCCC(=O)O

InChI

InChI=1S/C9H9ClO3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12)

InChIKey

QSGKVNYPPAQLDO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7170-50-5

CID: 81599

Formula: C9H9ClO3

MW: 200.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.62
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	200.0240218
Monoisotopic Mass	200.0240218
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172
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
OR97883	3-Oxo-3- (4-chlorophenoxy) propanoic acid
OR452060	2- (3-Chlorophenoxy) -2-methyl-propanoic acid
OR912090-01	2- (4-Chlorophenoxy) propanoic acid
OR82164	3- ((4- (2-Chlorophenoxy) phenyl) sulfonamido) propanoic acid
OR75605-01	2- (3-Chlorophenoxy) propionic acid
OR40783-01	3- (4-Chlorophenoxy) propionic acid
OR470101-01	3- (2-Chlorophenoxy) propionic acid
OR350107-01	(3-Chlorophenoxy) acetic Acid
OR1083313-01	1- (3-Chlorophenoxy) cyclopropanecarboxylic acid
OR452063-01	4- (3-Chlorophenoxy) -benzoic acid

Catalog	Name
sc-344129A	3- (2-chlorophenoxy) propanoic acid
sc-273855	2- (4-chlorophenoxy) propanoic acid
sc-282473	2- (2-chlorophenoxy) propanoic acid
sc-310651	3-[2- (4-Chlorophenoxy) phenyl]propanoic acid
BMB21784-01	3- (2-Bromo-4-chlorophenoxy) propanoic acid
AL BL 0525-01	3-amino-3-[3- (4-chlorophenoxy) phenyl]propanoic acid
VAA42135-01	(2S) -2- (4-Chlorophenoxy) propanoic acid
sc-282620	2- (4-bromo-2-chlorophenoxy) propanoic acid
sc-304566	2- (2-Bromo-4-chlorophenoxy) propanoic acid
BBA12932-01	2-[4- (4-Chlorophenoxy) phenoxy]propanoic acid