Ethyl 2-(2-Chlorophenyl)-2-cyanoacetate - CAS 4383-51-1

Catalog:	BB025478
Product Name:	Ethyl 2-(2-Chlorophenyl)-2-cyanoacetate
CAS:	4383-51-1
Synonyms:	2-(2-chlorophenyl)-2-cyanoacetic acid ethyl ester; ethyl 2-(2-chlorophenyl)-2-cyanoacetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-(2-chlorophenyl)-2-cyanoacetate
Description:	Ethyl 2-(2-Chlorophenyl)-2-cyanoacetate (CAS# 4383-51-1) is a chemical reagent in organic syntheses, often used in reactions displaying stereoselectivity.
Molecular Weight:	223.66
Molecular Formula:	C11H10ClNO2
Canonical SMILES:	CCOC(=O)C(C#N)C1=CC=CC=C1Cl
InChI:	InChI=1S/C11H10ClNO2/c1-2-15-11(14)9(7-13)8-5-3-4-6-10(8)12/h3-6,9H,2H2,1H3
InChI Key:	RASKCCDHQWXWHO-UHFFFAOYSA-N
LogP:	2.51028

Publication Number	Title	Priority Date
US-2020031775-A1	Substituted n-arylethyl-2-arylquinoline-4-carboxamides and use thereof	20170410
US-11136296-B2	Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof	20170410
AU-694166-B2	Plant disease-controlling agent	19940330
BG-99519-A	Preparation for plant disease control	19940330
EP-0679643-A2	Pyrazoline derivatives for controlling plant diseases	19940330

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Carbonyl Compounds

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[959574-98-2]
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[70912-52-6]
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Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.0400063
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.0400063
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7