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

CAT: 0127-PC110385-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC110385-01Size:1 g

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CAS Number

52923-25-8

Purity

98%

Smiles

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

Chemical Information

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

CAS Number	52923-25-8
PubChem CID	3246281
IUPAC Name	(2S)-2-(4-fluorophenyl)-2-hydroxyacetic acid
Molecular Formula	C8H7FO3
Molecular Weight	170.14
XLogP	0.7
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	164

SMILES

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

InChI

InChI=1S/C8H7FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1

InChIKey

RWCMOQXHIDWDDJ-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 52923-25-8

CID: 3246281

Formula: C8H7FO3

MW: 170.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.14
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	170.03792224
Monoisotopic Mass	170.03792224
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	164
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
PC103377-01	(R) -2- (4-Fluorophenyl) -2-hydroxyacetic acid
PC103833-01	2- (3-Fluorophenyl) -2-hydroxyacetic acid
OR1033360-01	(S) -2-cyclopropyl-2-hydroxyacetic acid
PC1002008-01	2- (2-Chloro-6-fluorophenyl) -2-hydroxyacetic acid
OR1102029-01	2- (4-Aminophenyl) -2-hydroxyacetic acid
OR1071578-01	2- (4-Cyclopropylphenyl) -2-hydroxyacetic acid
OR79812-01	2- (4-Ethylphenyl) -2-hydroxyacetic acid
PC1001559-01	(S) -2- (4-Fluorophenyl) propanoic acid
PC108963-01	(S) -2- (3,5-Difluorophenyl) -2-Hydroxyacetic Acid
OR74309-01	(R) -2- (4-Chlorophenyl) -2-hydroxyacetic acid

Catalog	Name
HBA22245-01	(2R) -2- (4-Fluorophenyl) -2-hydroxyacetic acid
CCA92325	(2S) -2- (4-Fluorophenyl) -2-hydroxyacetic acid
PYB37224-01	2- (2-Bromo-4-fluorophenyl) -2-hydroxyacetic acid
PYB34556-01	2- (4-Chloro-2-fluorophenyl) -2-hydroxyacetic acid
PYB37783-01	2- (3-Chloro-4-fluorophenyl) -2-hydroxyacetic acid
PYB37699-01	2- (4-Chloro-3-fluorophenyl) -2-hydroxyacetic acid
GAB89716-01	2- (4-Cyanophenyl) -2-hydroxyacetic acid
NAA10466-01	2- (4-Aminophenyl) -2-hydroxyacetic acid
RLC52202-01	2- (4-Cyclopropylphenyl) -2-hydroxyacetic acid
HAA55478-01	2- (2,4-Dichlorophenyl) -2-hydroxyacetic acid