3- (3-Fluorophenoxy) propanoic acid

CAT: 0127-PC200561-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC200561-01Size:250 mg

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CAS Number

133077-42-6

Synonyms

3- (3-Fluorophenoxy) propionic acid

MDL Number

MFCD01931913

Purity

95%

Smiles

OC(=O)CCOc1cccc(F)c1

Chemical Information

3-(3-Fluorophenoxy)propanoic acid

CAS Number	133077-42-6
PubChem CID	15086015
IUPAC Name	3-(3-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	172

SMILES

C1=CC(=CC(=C1)F)OCCC(=O)O

InChI

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

InChIKey

TWGIQPNNPXKPLC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133077-42-6

CID: 15086015

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	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
PC1317	3- (2-Fluorophenoxy) propanoic acid
PC4113	3- (4-Fluorophenoxy) propanoic acid
PC200570-01	2- (4-Fluorophenoxy) propanoic acid
PC1004373	2- (2-Fluorophenoxy) propanoic acid
PC1023295-01	3- (3-fluorophenoxy) benzoic acid
PC1015800	3- (3-Fluorophenoxy) phenylboronic acid
PC412146-01	4- (3-Fluorophenoxy) phenylboronic acid
PC412468-01	3- (4-Fluorophenoxy) phenylboronic acid
PC200534-01	2- (3-Fluorophenoxy) acetic acid
PC1023218	3- ((3-fluorophenoxy) methyl) benzoic acid

Catalog	Name
sc-344299	3- (3-fluorophenoxy) propanoic acid
sc-352304A	3- (3-chloro-4-fluorophenoxy) propanoic acid
ZJC92096-01	3- (4-Chloro-3-fluorophenoxy) propanoic acid
sc-334717C	2- (2-fluorophenoxy) propanoic acid
JH915173	3- (2-bromo-5-fluorophenoxy) propanoic acid
sc-344108A	3- (2-chloro-4-fluorophenoxy) propanoic acid
BMB23713-01	3- (4-Bromo-2-fluorophenoxy) propanoic acid
CMC68863-01	3- (2-Chloro-6-fluorophenoxy) propanoic acid
RQB83169-01	3-[4- (Chlorosulfonyl) -2-fluorophenoxy]propanoic acid
YGC03331-01	3-Amino-2- (4-fluorophenoxy) propanoic acid hydrochloride