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Ethyl 4-(2-Fluorophenyl)-2,4-dioxobutanoate

Ethyl 4-(2-Fluorophenyl)-2,4-dioxobutanoate - CAS 741286-80-6

Catalog:	BB034994
Product Name:	Ethyl 4-(2-Fluorophenyl)-2,4-dioxobutanoate
CAS:	741286-80-6
Synonyms:	4-(2-fluorophenyl)-2,4-dioxobutanoic acid ethyl ester; ethyl 4-(2-fluorophenyl)-2,4-dioxobutanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-(2-fluorophenyl)-2,4-dioxobutanoate
Description:	Ethyl 4-(2-Fluorophenyl)-2,4-dioxobutanoate (CAS# 741286-80-6) is a useful research chemical.
Molecular Weight:	238.21
Molecular Formula:	C12H11FO4
Canonical SMILES:	CCOC(=O)C(=O)CC(=O)C1=CC=CC=C1F
InChI:	InChI=1S/C12H11FO4/c1-2-17-12(16)11(15)7-10(14)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3
InChI Key:	GQXSEGQBHXMHFU-UHFFFAOYSA-N
LogP:	1.53070

Publication Number	Title	Priority Date
EP-2390252-A1	New pyrazole derivatives	20100519
WO-2011144338-A1	Pyrazole derivatives as s1p1 agonists	20100519
US-2011124618-A1	Substituted (pyrazolylcarbonyl)imidazolidinones and their use	20080317
US-2006264419-A1	Substituted pyrazoles	20030405
AU-2004209495-A1	Pyrazole derivative	20030207

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Complexity:	314
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.06413699
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.06413699
Rotatable Bond Count:	6
Topological Polar Surface Area:	60.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2