(E)-4-Chloronicotinaldehyde oxime - CAS 471909-43-0

Catalog:	BB026230
Product Name:	(E)-4-Chloronicotinaldehyde oxime
CAS:	471909-43-0
Synonyms:	(NE)-N-[(4-chloropyridin-3-yl)methylidene]hydroxylamine

Technical Data

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Computed Properties

IUPAC Name:	(NE)-N-[(4-chloropyridin-3-yl)methylidene]hydroxylamine
Description:	(E)-4-Chloronicotinaldehyde oxime (CAS# 471909-43-0) is a useful research chemical.
Molecular Weight:	156.57
Molecular Formula:	C6H5ClN2O
Canonical SMILES:	C1=CN=CC(=C1Cl)C=NO
InChI:	InChI=1S/C6H5ClN2O/c7-6-1-2-8-3-5(6)4-9-10/h1-4,10H/b9-4+
InChI Key:	MKJYDOKLIMMJDA-RUDMXATFSA-N
LogP:	1.54310

Publication Number	Title	Priority Date
EP-2337783-A1	Isoxazolo[4,5]pyridin-3-yl-piperazin derivatives useful as modulatorsof dopamine d3 receptors	20080923
US-2010075981-A1	Isoxazolo[4,5]pyridin-3-yl-piperazin derivatives useful as modulators of dopamine d3 receptors	20080923
US-7825123-B2	Isoxazolo[4,5]pyridin-3-yl-piperazin derivatives useful as modulators of dopamine D3 receptors	20080923
WO-2010034656-A1	Isoxazolo[4,5]pyridin-3-yl-piperazin derivatives useful as modulatorsof dopamine d3 receptors	20080923
EP-1501808-B1	Tachykinin receptor antagonists	20020426

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Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	156.0090405
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.0090405
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2