CAS 405-50-5 | 2-(4-Fluorophenyl)acetic acid | CAS Number 405-50-5

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405-50-5 | 2-(4-Fluorophenyl)acetic acid

CAS No: 405-50-5 Catalog No: AG003LG0 MDL No:MFCD00004343

Product Description

Catalog Number:

AG003LG0

Chemical Name:

2-(4-Fluorophenyl)acetic acid

CAS Number:

405-50-5

Molecular Formula:

C8H7FO2

Molecular Weight:

154.1384

MDL Number:

MFCD00004343

IUPAC Name:

2-(4-fluorophenyl)acetic acid

InChI:

InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChI Key:

MGKPFALCNDRSQD-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1ccc(cc1)F

EC Number:

206-972-4

UNII:

S5YJV7CAZ1

NSC Number:

402

Properties

Complexity:

139

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

154.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

154.14g/mol

Monoisotopic Mass:

154.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
1-(3,4-Dihydroxy-phen-yl)-2-(4-fluoro-phen-yl)ethanone.	Acta crystallographica. Section E, Structure reports online 20081201
Chromatographic selectivity study of 4-fluorophenylacetic acid positional isomers separation.	Journal of chromatography. A 20070713
Transfer of parahydrogen-induced hyperpolarization to 19F.	The journal of physical chemistry. A 20060316
Investigations into tumor accumulation and peroxisome proliferator activated receptor binding by F-18 and C-11 fatty acids.	Nuclear medicine and biology 20020201