1-(3-Bromophenyl)cyclobutanecarbonitrile - CAS 29786-38-7

Catalog:	BB020316
Product Name:	1-(3-Bromophenyl)cyclobutanecarbonitrile
CAS:	29786-38-7
Synonyms:	1-(3-bromophenyl)-1-cyclobutanecarbonitrile; 1-(3-bromophenyl)cyclobutane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3-bromophenyl)cyclobutane-1-carbonitrile
Description:	1-(3-Bromophenyl)cyclobutanecarbonitrile (CAS# 29786-38-7) is a useful research chemical.
Molecular Weight:	236.11
Molecular Formula:	C11H10BrN
Canonical SMILES:	C1CC(C1)(C#N)C2=CC(=CC=C2)Br
InChI:	InChI=1S/C11H10BrN/c12-10-4-1-3-9(7-10)11(8-13)5-2-6-11/h1,3-4,7H,2,5-6H2
InChI Key:	DXDKVAHRJJAWOH-UHFFFAOYSA-N
LogP:	3.39438

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
TW-201716397-A	An oxazolamide derivative as a histone deacetylase 6 inhibitor and a pharmaceutical composition containing the same	20151012

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Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.99966
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.99966
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2