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Ethyl 3-(2,4-Difluorophenyl)-3-oxopropionate

Ethyl 3-(2,4-Difluorophenyl)-3-oxopropionate - CAS 58101-23-8

Catalog:	BB029930
Product Name:	Ethyl 3-(2,4-Difluorophenyl)-3-oxopropionate
CAS:	58101-23-8
Synonyms:	3-(2,4-difluorophenyl)-3-oxopropanoic acid ethyl ester; ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate

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Computed Properties

IUPAC Name:	ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate
Description:	Ethyl 3-(2,4-Difluorophenyl)-3-oxopropionate (CAS# 58101-23-8) is a useful research chemical compound.
Molecular Weight:	228.19
Molecular Formula:	C11H10F2O3
Canonical SMILES:	CCOC(=O)CC(=O)C1=C(C=C(C=C1)F)F
InChI:	InChI=1S/C11H10F2O3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3
InChI Key:	UFAHWLKYHPRYSY-UHFFFAOYSA-N
Boiling Point:	276 °C at 760 mmHg
Density:	1.251 g/cm³
LogP:	2.10070

Publication Number	Title	Priority Date
US-2021094954-A1	Preparation methods and applications of 3,5-disubstituted methylpyrazolo[1,5-a]pyrimidine-7-hydroxylic salts	20191001
WO-2018177218-A1	Preparing method for and uses of 3,5-disubstituted methylpyrazolo[1,5-a] pyrimidin-7-phenolate analogues and derivatives	20170401
US-2012277224-A1	Heterocyclic compounds for the inhibition of pask	20110426
WO-2012149157-A2	Heterocyclic compounds for the inhibition of pask	20110426
US-10953012-B2	Heterocyclic compounds for the inhibition of pask	20110426

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	268
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.05980050
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.05980050
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2