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1-(2,5-Dichlorophenyl)cyclopentanecarbonitrile

1-(2,5-Dichlorophenyl)cyclopentanecarbonitrile - CAS 1616924-00-5

Catalog:	BB011773
Product Name:	1-(2,5-Dichlorophenyl)cyclopentanecarbonitrile
CAS:	1616924-00-5
Synonyms:	1-(2,5-dichlorophenyl)-1-cyclopentanecarbonitrile; 1-(2,5-dichlorophenyl)cyclopentane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2,5-dichlorophenyl)cyclopentane-1-carbonitrile
Description:	1-(2,5-Dichlorophenyl)cyclopentanecarbonitrile (CAS# 1616924-00-5) is a useful research chemical.
Molecular Weight:	240.13
Molecular Formula:	C12H11Cl2N
Canonical SMILES:	C1CCC(C1)(C#N)C2=C(C=CC(=C2)Cl)Cl
InChI:	InChI=1S/C12H11Cl2N/c13-9-3-4-11(14)10(7-9)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChI Key:	ZEPPSIVTTCKELV-UHFFFAOYSA-N

Publication Number	Title	Priority Date
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
EP-2943495-A1	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20130108
EP-2943495-B1	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20130108

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Complexity:	275
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.0268547
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.0268547
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3