2-(2-Chlorophenoxy)acetonitrile - CAS 43111-31-5

Catalog:	BB025323
Product Name:	2-(2-Chlorophenoxy)acetonitrile
CAS:	43111-31-5
Synonyms:	2-(2-chlorophenoxy)acetonitrile; 2-(2-chlorophenoxy)acetonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(2-chlorophenoxy)acetonitrile
Description:	2-(2-Chlorophenoxy)acetonitrile (CAS# 43111-31-5) is a useful research chemical.
Molecular Weight:	167.59
Molecular Formula:	C8H6ClNO
Canonical SMILES:	C1=CC=C(C(=C1)OCC#N)Cl
InChI:	InChI=1S/C8H6ClNO/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,6H2
InChI Key:	JWRJGSQLKHGQOT-UHFFFAOYSA-N
Boiling Point:	108-110 °C (1 torr)
Density:	1.238 g/cm³
MDL:	MFCD00017331
LogP:	2.24238

Publication Number	Title	Priority Date
EP-3426636-A2	Substituted heterocycles as c-myc targeting agents	20160307
US-2017253581-A1	SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS	20160307
WO-2017155942-A2	Substituted heterocycles as c-myc targeting agents	20160307
TW-201341382-A	Heteroaryl piperidine and piperazine derivatives as fungicides	20111227
TW-201716383-A	Heteroaryl piperidine and piperidine derivatives as fungicides	20111227

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.0137915
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.0137915
Rotatable Bond Count:	2
Topological Polar Surface Area:	33
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1