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1-(5-Bromo-2-methoxyphenyl)cyclopentanecarbonitrile

1-(5-Bromo-2-methoxyphenyl)cyclopentanecarbonitrile - CAS 75097-56-2

Catalog:	BB035245
Product Name:	1-(5-Bromo-2-methoxyphenyl)cyclopentanecarbonitrile
CAS:	75097-56-2
Synonyms:	1-(5-bromo-2-methoxyphenyl)-1-cyclopentanecarbonitrile; 1-(5-bromo-2-methoxyphenyl)cyclopentane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(5-bromo-2-methoxyphenyl)cyclopentane-1-carbonitrile
Description:	1-(5-Bromo-2-methoxyphenyl)cyclopentanecarbonitrile (CAS# 75097-56-2 ) is a useful research chemical.
Molecular Weight:	280.16
Molecular Formula:	C13H14BrNO
Canonical SMILES:	COC1=C(C=C(C=C1)Br)C2(CCCC2)C#N
InChI:	InChI=1S/C13H14BrNO/c1-16-12-5-4-10(14)8-11(12)13(9-15)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChI Key:	JAFYXLCESIEQIC-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-0007719-A2	Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives	19780729
US-4263037-A	5-Cyano-2,3-dihydrobenzofurans useful as herbicides	19780729
US-4333759-A	Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones	19780729

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Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	279.02588
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	279.02588
Rotatable Bond Count:	2
Topological Polar Surface Area:	33
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7