(S) -2- (4-Fluorophenyl) propanoic acid

CAT: 0127-PC1001559-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1001559-01Size:100 mg

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CAS Number

191725-90-3

MDL Number

MFCD17215398

Purity

97%

Smiles

O=C(O)[C@@H](C)C1=CC=C(F)C=C1

Chemical Information

(2S)-2-(4-fluorophenyl)propanoic acid

CAS Number	191725-90-3
PubChem CID	6950752
IUPAC Name	(2S)-2-(4-fluorophenyl)propanoic acid
Molecular Formula	C9H9FO2
Molecular Weight	168.16
XLogP	2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	162

SMILES

C[C@@H](C1=CC=C(C=C1)F)C(=O)O

InChI

InChI=1S/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)/t6-/m0/s1

InChIKey

IXSCGBODJGIJNN-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 191725-90-3

CID: 6950752

Formula: C9H9FO2

MW: 168.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.16
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	168.05865769
Monoisotopic Mass	168.05865769
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	162
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
PC200089-01	2- (4-Fluorophenyl) propanoic acid
PC201163-01	2- ((4-Fluorophenyl) amino) propanoic acid
PC111535-01	(R) -2- (4-fluorophenyl) propanoic acid
PC103161	(S) -2-amino-3- (4-borono-2-fluorophenyl) propanoic acid
PC1003020-01	2- (2-Chloro-4-fluorophenyl) propanoic acid
PC520838-01	2-Amino-2- (4-fluorophenyl) propanoic acid
PC111687-01	2- (2-Fluorophenyl) propanoic acid
PC4174G-01	3- (4-Fluorophenyl) propanoic acid
PC1004151-01	(S) -3-Amino-3- (2-fluorophenyl) propanoic acid
PC510277-01	3- (2-Chloro-4-fluorophenyl) propanoic acid

Catalog	Name
HY-W028185-01	3- (4-Fluorophenyl) propanoic acid
276576-01	2- (4-Fluorophenyl) propanoic acid
VIA00023-01	2-[ (4-Fluorophenyl) methoxy]propanoic acid
sc-345776A	3-[ (4-fluorophenyl) sulfonyl]propanoic acid
FGA05910-01	2-[ (4-Fluorophenyl) sulfanyl]propanoic acid
AGA36026-01	(R) -2- (4-Fluorophenyl) propanoic acid
UBB00289-01	3- (4-Cyano-2-fluorophenyl) propanoic acid
422767-01	3- (4-Bromo-2-fluorophenyl) propanoic acid
sc-346125A	3-{[ (4-fluorophenyl) sulfonyl]amino}propanoic acid
sc-352153	2-{[ (4-fluorophenyl) methyl]amino}propanoic acid