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

1-(5-Bromo-2-methoxyphenyl)cyclopropanecarbonitrile - CAS 1260756-93-1

Catalog:	BB006360
Product Name:	1-(5-Bromo-2-methoxyphenyl)cyclopropanecarbonitrile
CAS:	1260756-93-1
Synonyms:	1-(5-bromo-2-methoxyphenyl)-1-cyclopropanecarbonitrile; 1-(5-bromo-2-methoxyphenyl)cyclopropane-1-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	1-(5-bromo-2-methoxyphenyl)cyclopropane-1-carbonitrile
Description:	1-(5-Bromo-2-methoxyphenyl)cyclopropanecarbonitrile (CAS# 1260756-93-1) is a useful research chemical.
Molecular Weight:	252.11
Molecular Formula:	C11H10BrNO
Canonical SMILES:	COC1=C(C=C(C=C1)Br)C2(CC2)C#N
InChI:	InChI=1S/C11H10BrNO/c1-14-10-3-2-8(12)6-9(10)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3
InChI Key:	SKGMEUYHZKVHIZ-UHFFFAOYSA-N
LogP:	3.01288

Publication Number	Title	Priority Date
EP-2822931-A1	Triazolone compounds and uses thereof	20120309
EP-2822931-B1	Triazolone compounds and uses thereof	20120309
US-2015080412-A1	Triazolone compounds and uses thereof	20120309
US-9505728-B2	Triazolone compounds and uses thereof	20120309
WO-2013134562-A1	Triazolone compounds and uses thereof	20120309

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Complexity:	266
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.99458
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.99458
Rotatable Bond Count:	2
Topological Polar Surface Area:	33
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6