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Ethyl 2-(4-Cyanophenyl)-2,2-difluoroacetate

Ethyl 2-(4-Cyanophenyl)-2,2-difluoroacetate - CAS 854778-10-2

Catalog:	BB037627
Product Name:	Ethyl 2-(4-Cyanophenyl)-2,2-difluoroacetate
CAS:	854778-10-2
Synonyms:	2-(4-cyanophenyl)-2,2-difluoroacetic acid ethyl ester; ethyl 2-(4-cyanophenyl)-2,2-difluoroacetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(4-cyanophenyl)-2,2-difluoroacetate
Description:	Ethyl 2-(4-Cyanophenyl)-2,2-difluoroacetate (CAS# 854778-10-2 ) is a useful research chemical.
Molecular Weight:	225.19
Molecular Formula:	C11H9F2NO2
Canonical SMILES:	CCOC(=O)C(C1=CC=C(C=C1)C#N)(F)F
InChI:	InChI=1S/C11H9F2NO2/c1-2-16-10(15)11(12,13)9-5-3-8(7-14)4-6-9/h3-6H,2H2,1H3
InChI Key:	AQZHSNKXWKINQU-UHFFFAOYSA-N
LogP:	2.21318

Publication Number	Title	Priority Date
WO-2021175669-A1	Use of substituted 1,2,4-oxadiazoles for combating phytopathogenic fungi	20200304
AU-2017376446-A1	1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use	20161215
EP-3555086-A1	1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use	20161215
JP-2020503291-A	1,4-Thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as Î²-secretase inhibitors and methods of use	20161215
WO-2018112094-A1	1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use	20161215

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Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.06013485
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.06013485
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5