2- (4-Fluorophenoxy) propanoic acid

CAT: 0127-PC200570-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC200570-01Size:1 g

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CAS Number

2967-70-6

MDL Number

MFCD02295725

Purity

95%

Smiles

CC(Oc1ccc(F)cc1)C(=O)O

Chemical Information

2-(4-Fluorophenoxy)propanoic acid

CAS Number	2967-70-6
PubChem CID	3872140
IUPAC Name	2-(4-fluorophenoxy)propanoic acid
Molecular Formula	C9H9FO3
Molecular Weight	184.16
XLogP	1.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	176

SMILES

CC(C(=O)O)OC1=CC=C(C=C1)F

InChI

InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)

InChIKey

WIVLMXDHGGRLMP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2967-70-6

CID: 3872140

Formula: C9H9FO3

MW: 184.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.16
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	184.05357231
Monoisotopic Mass	184.05357231
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1004373	2- (2-Fluorophenoxy) propanoic acid
PC4113	3- (4-Fluorophenoxy) propanoic acid
PC1317	3- (2-Fluorophenoxy) propanoic acid
PC200561-01	3- (3-Fluorophenoxy) propanoic acid
PC103437-01	2- (4-Fluorophenoxy) butanoic acid
PC412469-01	4- (2-Fluorophenoxy) phenylboronic acid
PC412467	2- (4-Fluorophenoxy) phenylboronic acid
PC1298	2- (4-Fluorophenoxy) nicotinic acid
PC200573	2- (4-Fluorophenoxy) benzoic acid
PC200576	4- (2-Fluorophenoxy) benzoic acid

Catalog	Name
ZJC92096-01	3- (4-Chloro-3-fluorophenoxy) propanoic acid
sc-344108	3- (2-chloro-4-fluorophenoxy) propanoic acid
BMB23713-01	3- (4-Bromo-2-fluorophenoxy) propanoic acid
BAA57973-01	2- (2-Bromo-4-fluorophenoxy) propanoic acid
sc-282465	2- (2-chloro-4-fluorophenoxy) propanoic acid
sc-352304	3- (3-chloro-4-fluorophenoxy) propanoic acid
RQB83169-01	3-[4- (Chlorosulfonyl) -2-fluorophenoxy]propanoic acid
sc-339802	2- (4-bromo-2-fluorophenoxy) propanoic acid
sc-334717D	2- (2-fluorophenoxy) propanoic acid
sc-344299	3- (3-fluorophenoxy) propanoic acid