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Ethyl 3-(2,4-Dichlorophenyl)-3-oxopropanoate

Ethyl 3-(2,4-Dichlorophenyl)-3-oxopropanoate - CAS 60868-41-9

Catalog:	BB030843
Product Name:	Ethyl 3-(2,4-Dichlorophenyl)-3-oxopropanoate
CAS:	60868-41-9
Synonyms:	3-(2,4-dichlorophenyl)-3-oxopropanoic acid ethyl ester; ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate
Description:	Ethyl 3-(2,4-Dichlorophenyl)-3-oxopropanoate (CAS# 60868-41-9 ) is a useful research chemical.
Molecular Weight:	261.10
Molecular Formula:	C11H10Cl2O3
Canonical SMILES:	CCOC(=O)CC(=O)C1=C(C=C(C=C1)Cl)Cl
InChI:	InChI=1S/C11H10Cl2O3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3
InChI Key:	QJVFFNRCSJWXPE-UHFFFAOYSA-N
Boiling Point:	323 °C
Density:	1.319 g/cm³
LogP:	3.12930

Publication Number	Title	Priority Date
EP-2769980-A1	Pyrazoloquinoline derivative	20111007
EP-2769980-B1	Pyrazoloquinoline derivative as pde9 inhibitors	20111007
US-2013143907-A1	Pyrazoloquinoline derivatives	20111007
US-2013296352-A1	Pyrazoloquinoline derivatives	20111007
US-8563565-B2	Pyrazoloquinoline derivatives	20111007

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Related Functional Groups

Carbonyl Compounds

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[87-88-7]
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[70199-62-1]
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[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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:	260.0006996
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	260.0006996
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2