1-(4-Chlorophenyl)cyclopentanecarbonitrile - CAS 64399-26-4

Catalog:	BB032459
Product Name:	1-(4-Chlorophenyl)cyclopentanecarbonitrile
CAS:	64399-26-4
Synonyms:	1-(4-chlorophenyl)-1-cyclopentanecarbonitrile; 1-(4-chlorophenyl)cyclopentane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-chlorophenyl)cyclopentane-1-carbonitrile
Description:	1-(4-Chlorophenyl)cyclopentanecarbonitrile (CAS# 64399-26-4) is a useful research chemical compound.
Molecular Weight:	205.68
Molecular Formula:	C12H12ClN
Canonical SMILES:	C1CCC(C1)(C#N)C2=CC=C(C=C2)Cl
InChI:	InChI=1S/C12H12ClN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-8H2
InChI Key:	TXVNBTOIDITCBF-UHFFFAOYSA-N
Boiling Point:	334.7 °C at 760 mmHg
Density:	1.17 g/cm³
LogP:	3.67538

Publication Number	Title	Priority Date
US-2020087331-A1	Chemoselective methylene hydroxylation in aromatic molecules	20180913
US-10961266-B2	Chemoselective methylene hydroxylation in aromatic molecules	20180913
AU-2014204889-A1	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20130108
CA-2894642-A1	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20130108
CN-104918942-A	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20130108

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Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.0658271
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.0658271
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6