2-[(4-Tetrahydropyranyl)oxy]benzonitrile - CAS 898289-37-7

Catalog:	BB039618
Product Name:	2-[(4-Tetrahydropyranyl)oxy]benzonitrile
CAS:	898289-37-7
Synonyms:	2-(4-oxanyloxy)benzonitrile; 2-(oxan-4-yloxy)benzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(oxan-4-yloxy)benzonitrile
Description:	2-[(4-Tetrahydropyranyl)oxy]benzonitrile (CAS# 898289-37-7 ) is a useful research chemical.
Molecular Weight:	203.24
Molecular Formula:	C12H13NO2
Canonical SMILES:	C1COCCC1OC2=CC=CC=C2C#N
InChI:	InChI=1S/C12H13NO2/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-4,11H,5-8H2
InChI Key:	SXNKDLAJDADKEE-UHFFFAOYSA-N
Boiling Point:	363.2 °C at 760 mmHg
Density:	1.15 g/cm³
LogP:	2.11608

Publication Number	Title	Priority Date
AU-2018352699-A1	Pyrimidine TBK/IKKE inhibitor compounds and uses thereof	20171017
AU-2018352701-A1	Pyrimidine Î¤Î'Îš/Î™ÎšÎšE inhibitor compounds and uses thereof	20171017
IL-273892-D0	Pyrimidine compounds that inhibit tbk / ikke and pharmaceutical preparations that contain them	20171017
WO-2019079373-A1	PYRIMIDINE TBK / IKKÎµ INHIBITORY COMPOUNDS AND USES THEREOF	20171017
EP-3697772-A1	Pyrimidine tbk/ikk inhibitor compounds and uses thereof	20171017

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]
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[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine

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Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.094628657
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.094628657
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2