CAS 1578-63-8 | Benzeneacetic acid, α-fluoro- | CAS Number 1578-63-8

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1578-63-8 | Benzeneacetic acid, α-fluoro-

CAS No: 1578-63-8 Catalog No: AG001PPW MDL No:MFCD00004221

Product Description

Catalog Number:

AG001PPW

Chemical Name:

Benzeneacetic acid, α-fluoro-

CAS Number:

1578-63-8

Molecular Formula:

C8H7FO2

Molecular Weight:

154.1384

MDL Number:

MFCD00004221

IUPAC Name:

2-fluoro-2-phenylacetic acid

InChI:

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

InChI Key:

ATPPNMLQNZHDOG-UHFFFAOYSA-N

SMILES:

FC(c1ccccc1)C(=O)O

EC Number:

216-420-4

Properties

Complexity:

141

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:

1.9

Literature

Title	Journal
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