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1-(2-Chloro-4-fluorophenyl)cyclobutanecarbonitrile

1-(2-Chloro-4-fluorophenyl)cyclobutanecarbonitrile - CAS 1260850-80-3

Catalog:	BB006422
Product Name:	1-(2-Chloro-4-fluorophenyl)cyclobutanecarbonitrile
CAS:	1260850-80-3
Synonyms:	1-(2-chloro-4-fluorophenyl)-1-cyclobutanecarbonitrile; 1-(2-chloro-4-fluorophenyl)cyclobutane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2-chloro-4-fluorophenyl)cyclobutane-1-carbonitrile
Description:	1-(2-Chloro-4-fluorophenyl)cyclobutanecarbonitrile (CAS# 1260850-80-3 ) is a useful research chemical.
Molecular Weight:	209.65
Molecular Formula:	C11H9ClFN
Canonical SMILES:	C1CC(C1)(C#N)C2=C(C=C(C=C2)F)Cl
InChI:	InChI=1S/C11H9ClFN/c12-10-6-8(13)2-3-9(10)11(7-14)4-1-5-11/h2-3,6H,1,4-5H2
InChI Key:	KOFIWRGELJIVMD-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CA-3001666-A1	Oxadiazole amine derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20151012
EP-3362445-A1	Oxadiazole amine derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20151012
JP-2018530571-A	Oxadiazoleamine derivative compound as histone deacetylase 6 inhibitor and pharmaceutical composition containing the same	20151012
JP-6697074-B2	Oxadiazole amine derivative compound as histone deacetylase 6 inhibitor and pharmaceutical composition containing the same	20151012
KR-101839137-B1	Oxadiazole Amine Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same	20151012

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Complexity:	266
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.0407551
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.0407551
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2