3- (4-Fluorophenoxy) propanoic acid

CAT: 0127-PC4113Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC4113Size:1 g

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CAS Number

1579-78-8

MDL Number

MFCD00052838

Purity

97%

Smiles

OC(=O)CCOc1ccc(F)cc1

Chemical Information

3-(4-Fluorophenoxy)propionic acid

CAS Number	1579-78-8
PubChem CID	74099
IUPAC Name	3-(4-fluorophenoxy)propanoic acid
Molecular Formula	C9H9FO3
Molecular Weight	184.16
XLogP	1.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	164

SMILES

C1=CC(=CC=C1OCCC(=O)O)F

InChI

InChI=1S/C9H9FO3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)

InChIKey

QCEDXODAYRWQRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1579-78-8

CID: 74099

Formula: C9H9FO3

MW: 184.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.16
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	184.05357231
Monoisotopic Mass	184.05357231
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	164
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
PC200561-01	3- (3-Fluorophenoxy) propanoic acid
PC200570-01	2- (4-Fluorophenoxy) propanoic acid
PC1317	3- (2-Fluorophenoxy) propanoic acid
PC1004373	2- (2-Fluorophenoxy) propanoic acid
PC412146-01	4- (3-Fluorophenoxy) phenylboronic acid
PC412468-01	3- (4-Fluorophenoxy) phenylboronic acid
PC1022477-01	4- ((3-fluorophenoxy) methyl) benzoic acid
PC4100	(4-Fluorophenoxy) acetic acid
PC103145-01	4- (4-Fluorophenoxy) benzoic acid
PC412207-01	4- (4-Fluorophenoxy) phenylboronic acid

Catalog	Name
sc-339802	2- (4-bromo-2-fluorophenoxy) propanoic acid
sc-334694A	2- (2-bromo-4-fluorophenoxy) propanoic acid
sc-344108A	3- (2-chloro-4-fluorophenoxy) propanoic acid
sc-352304A	3- (3-chloro-4-fluorophenoxy) propanoic acid
ZJC92096-01	3- (4-Chloro-3-fluorophenoxy) propanoic acid
BMB23713-01	3- (4-Bromo-2-fluorophenoxy) propanoic acid
sc-282465	2- (2-chloro-4-fluorophenoxy) propanoic acid
RQB83169-01	3-[4- (Chlorosulfonyl) -2-fluorophenoxy]propanoic acid
sc-334717C	2- (2-fluorophenoxy) propanoic acid
sc-344299	3- (3-fluorophenoxy) propanoic acid