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Nitrogen Compounds
1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile

1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile - CAS 214262-94-9

Catalog:	BB016838
Product Name:	1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile
CAS:	214262-94-9
Synonyms:	1-(2-chloro-6-fluorophenyl)-1-cyclopentanecarbonitrile; 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2-chloro-6-fluorophenyl)cyclopentane-1-carbonitrile
Description:	1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile (CAS# 214262-94-9 ) is a useful research chemical.
Molecular Weight:	223.67
Molecular Formula:	C12H11ClFN
Canonical SMILES:	C1CCC(C1)(C#N)C2=C(C=CC=C2Cl)F
InChI:	InChI=1S/C12H11ClFN/c13-9-4-3-5-10(14)11(9)12(8-15)6-1-2-7-12/h3-5H,1-2,6-7H2
InChI Key:	KIROJLODCPJLTM-UHFFFAOYSA-N
Boiling Point:	338.7 °C at 760 mmHg
Density:	1.24 g/cm³
LogP:	3.81448

Publication Number	Title	Priority Date
EP-2094677-A1	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122
EP-2094677-B1	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122
ES-2359104-T3	TIADIAZOL DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES.	20061122
US-2010144709-A1	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122
US-7960556-B2	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122

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Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.0564052
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.0564052
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7