2- (4-Fluorophenoxy) butanoic acid

CAT: 0127-PC103437-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC103437-01Size:250 mg

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CAS Number

161790-15-4

MDL Number

MFCD02295737

Purity

98%

Smiles

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

Chemical Information

2-(4-Fluorophenoxy)butanoic acid

CAS Number	161790-15-4
PubChem CID	6485564
IUPAC Name	2-(4-fluorophenoxy)butanoic acid
Molecular Formula	C10H11FO3
Molecular Weight	198.19
XLogP	2.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	188

SMILES

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

InChI

InChI=1S/C10H11FO3/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,12,13)

InChIKey

IDVASMZXSNTIEL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 161790-15-4

CID: 6485564

Formula: C10H11FO3

MW: 198.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.19
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	198.06922237
Monoisotopic Mass	198.06922237
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	188
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
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PC200573	2- (4-Fluorophenoxy) benzoic acid
PC1298	2- (4-Fluorophenoxy) nicotinic acid
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OR1071966-01	4- (2-Aminoacetamido) butanoic acid
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Catalog	Name
FF80324-01	4- (4-Fluorophenoxy) Butanoic Acid
sc-347655	4- (2-fluorophenoxy) butanoic acid
sc-320782	2- (4-Fluorophenoxy) butanoic acid
sc-347856A	4- (3-fluorophenoxy) butanoic acid
CWB84396-01	2- (4-Bromo-2-fluorophenoxy) butanoic acid
LGA79023-01	2- (2-Fluorophenoxy) butanoic acid
TCA89601-01	4- (Triethoxysilyl) butanoic acid
SBA85645-01	4- (Benzylcarbamoyl) butanoic acid
HBA39197-01	4- (Methylsulfanyl) butanoic acid
TRC-B291563-250MG	4-(Benzyloxy)butanoic Acid