3- (4-Fluorophenyl) butanoic acid

CAT: 0926-QAA95441-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-QAA95441-01Size:250 mg

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CAS Number

15954-41-3

MDL Number

MFCD00020504

Smiles

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

Molecular Formula

C10H11FO2

Molecular Weight

182.19 g/mol

Controlled

Chemical Information

3-(4-Fluorophenyl)butanoic acid

CAS Number	15954-41-3
PubChem CID	291915
IUPAC Name	3-(4-fluorophenyl)butanoic acid
Molecular Formula	C10H11FO2
Molecular Weight	182.19
XLogP	2.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	174

SMILES

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

InChI

InChI=1S/C10H11FO2/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H,12,13)

InChIKey

RGWUPQHXIQNHFN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15954-41-3

CID: 291915

Formula: C10H11FO2

MW: 182.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.19
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	182.07430775
Monoisotopic Mass	182.07430775
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174
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
VCA63188-01	4- (3-Fluorophenyl) butanoic acid
FF105063	4- (4-fluorophenyl) butanoic Acid
LLC94500-01	3- (3-Bromo-4-fluorophenyl) butanoic acid
SRB81512-01	3- (3-Fluorophenyl) butanoic acid
FWC64742-01	4,4-Difluoro-3- (3-fluorophenyl) butanoic acid
QDA79416-01	2- (4-Fluorophenyl) butanoic acid
BMB25895-01	4-[ (4-Fluorophenyl) formamido]butanoic acid
SRB81530-01	3- (2-Fluorophenyl) butanoic acid
XAD77445-01	4,4-Difluoro-3- (2-fluorophenyl) butanoic acid
NLC11327-01	4,4,4-Trifluoro-2- (3-fluorophenyl) butanoic acid

Catalog	Name
PC0715-01	4- (4-Fluorophenyl) butanoic acid
PC107410	4- (2-Fluorophenyl) butanoic acid
PC106786	2- (4-Fluorophenyl) butanoic acid
sc-344427A	3- (4-fluorophenyl) butanoic acid
PC104349	4-[ (4-Fluorophenyl) thio]butanoic acid
PC1002627-01	4,4-Bis (4-fluorophenyl) butanoic acid
HY-49707-01	4- (2-Chloro-4-fluorophenyl) butanoic acid
PC109409-01	3-Oxo-4- (4-fluorophenyl) butanoic acid
AX KI 0026-01	4-amino-2- (4-fluorophenyl) butanoic acid
sc-336266	4-{[ (4-fluorophenyl) sulfonyl]amino}butanoic acid