2-Fluoro-2-phenylpropionic Acid - CAS 17172-46-2

Catalog:	BB012766
Product Name:	2-Fluoro-2-phenylpropionic Acid
CAS:	17172-46-2
Synonyms:	2-fluoro-2-phenylpropanoic acid; 2-fluoro-2-phenylpropanoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-fluoro-2-phenylpropanoic acid
Description:	2-Fluoro-2-phenylpropionic Acid (CAS# 17172-46-2 ) is a useful research chemical.
Molecular Weight:	168.16
Molecular Formula:	C9H9FO2
Canonical SMILES:	CC(C1=CC=CC=C1)(C(=O)O)F
InChI:	InChI=1S/C9H9FO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12)
InChI Key:	UQZSHNJGBJJFJN-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2014016766-A1	Guanidine derivatives as trpc modulators	20120725
EP-1951685-A1	Novel quinazoline derivatives and their medical use	20051118
JP-2009515934-A	Novel quinazoline derivatives and their medical use	20051118
US-2009291973-A1	Novel Quinazoline Derivatives and Their Medical Use	20051118
WO-2007057447-A1	Novel quinazoline derivatives and their medical use	20051118

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Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05865769
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.05865769
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1