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Home Other Building Blocks Benzeneacetic acid, α-fluoro-

Benzeneacetic acid, α-fluoro-

CAS No.:
1578-63-8
Catalog Number:
AG001PPW
Molecular Formula:
C8H7FO2
Molecular Weight:
154.1384
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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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.14g/mol
Monoisotopic Mass:
154.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
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
Properties