4- (2-FLUOROPHENYL) BUTANOIC ACID

CAT: 1266-JH913223Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH913223Size:1 Each

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CAS Number

143654-62-0

HS Code

2916399090

Molecular Formula

C10H11FO2

Molecular Weight

182.19

Chemical Information

4-(2-Fluorophenyl)butanoic acid

CAS Number	143654-62-0
PubChem CID	15491036
IUPAC Name	4-(2-fluorophenyl)butanoic acid
Molecular Formula	C10H11FO2
Molecular Weight	182.19
XLogP	2.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	170

SMILES

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

InChI

InChI=1S/C10H11FO2/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h1-2,4,6H,3,5,7H2,(H,12,13)

InChIKey

BFPNQUKYBZXOSL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 143654-62-0

CID: 15491036

Formula: C10H11FO2

MW: 182.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.19
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	182.07430775
Monoisotopic Mass	182.07430775
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	170
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
JH917177	4- (acetyloxy) Butanoic acid
JH912947	(2S) -2-amino-4- (4-hydroxyphenyl) butanoic acid
JH523099	(4- (Dimethylcarbamoyl) -2-fluorophenyl) boronic acid
JH916443	(4- (dimethylamino) -2-fluorophenyl) boronic acid
JH198969	(2R) -4-amino-4-oxo-2- (tritylamino) butanoic acid
JH916259	(4-Chloro-3-cyano-2-fluorophenyl) boronic acid
JH79395	2- (2-Fluorophenyl) -3-methylbutanoic acid
JH652934	3-Hydroxy-3,4-bis (ethoxycarbonyl) butanoic acid
JH919062	(2-fluorophenyl-3,4,5,6-d4) boronic acid
JH561132	2-[ (4-fluorophenyl) -phenylmethyl]sulfinylacetamide

Catalog	Name
PC107410	4- (2-Fluorophenyl) butanoic acid
PC106786	2- (4-Fluorophenyl) butanoic acid
SRB81530-01	3- (2-Fluorophenyl) butanoic acid
414948-01	2-Amino-2- (4-fluorophenyl) butanoic acid
SRB81512-01	3- (3-Fluorophenyl) butanoic acid
QAA95441-01	3- (4-Fluorophenyl) butanoic acid
FF105063	4- (4-fluorophenyl) butanoic Acid
VCA63188-01	4- (3-Fluorophenyl) butanoic acid
AJA23379-01	2-Amino-4- (4-fluorophenyl) butanoic acid
HY-49707-01	4- (2-Chloro-4-fluorophenyl) butanoic acid