1-(3-Bromophenyl)cyclopentanecarbonitrile - CAS 143328-18-1

Catalog:	BB009557
Product Name:	1-(3-Bromophenyl)cyclopentanecarbonitrile
CAS:	143328-18-1
Synonyms:	1-(3-bromophenyl)-1-cyclopentanecarbonitrile; 1-(3-bromophenyl)cyclopentane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3-bromophenyl)cyclopentane-1-carbonitrile
Description:	1-(3-Bromophenyl)cyclopentanecarbonitrile (CAS# 143328-18-1 ) is a useful research chemical.
Molecular Weight:	250.13
Molecular Formula:	C12H12BrN
Canonical SMILES:	C1CCC(C1)(C#N)C2=CC(=CC=C2)Br
InChI:	InChI=1S/C12H12BrN/c13-11-5-3-4-10(8-11)12(9-14)6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChI Key:	QHQZRWPINSOWTL-UHFFFAOYSA-N
LogP:	3.78448

Publication Number	Title	Priority Date
WO-2017158151-A1	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20160318
CN-106715414-B	With 2 adrenaline excitant of Î² and the active new bicyclic derivatives of M3 muscarinic antagonist	20140926
EP-3197879-A1	New bicyclic derivatives having beta2 adrenergic agonist and m3 muscarinic antagonist activities	20140926
EP-3197879-B1	New bicyclic derivatives having beta2 adrenergic agonist and m3 muscarinic antagonist activities	20140926
TW-201617343-A	Novel bicyclic derivatives with Î²2 adrenergic agonist and M3 scorpion antagonist activity	20140926

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Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.01531
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.01531
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7