4-Chloro-5-methoxypyridazin-3(2H)-one - CAS 63910-43-0

Catalog:	BB032320
Product Name:	4-Chloro-5-methoxypyridazin-3(2H)-one
CAS:	63910-43-0
Synonyms:	5-chloro-4-methoxy-1H-pyridazin-6-one; 5-chloro-4-methoxy-1H-pyridazin-6-one

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Computed Properties

IUPAC Name:	5-chloro-4-methoxy-1H-pyridazin-6-one
Description:	4-Chloro-5-methoxypyridazin-3(2H)-one (CAS# 63910-43-0) is a useful research chemical.
Molecular Weight:	160.56
Molecular Formula:	C5H5ClN2O2
Canonical SMILES:	COC1=C(C(=O)NN=C1)Cl
InChI:	InChI=1S/C5H5ClN2O2/c1-10-3-2-7-8-5(9)4(3)6/h2H,1H3,(H,8,9)
InChI Key:	SUZFURZANOKZBL-UHFFFAOYSA-N
Density:	1.51 g/cm³
MDL:	MFCD04971392
LogP:	0.43190

Publication Number	Title	Priority Date
AU-2018256931-A1	Propionic acid derivatives and methods of use thereof	20170426
CN-110914242-A	Propionic acid derivatives and methods of use thereof	20170426
EP-3615514-A2	Propionic acid derivatives and methods of use thereof	20170426
US-2018312523-A1	Propionic Acid Derivatives and Methods of Use Thereof	20170426
WO-2018201167-A2	Propionic acid derivatives and methods of use thereof	20170426

PMID	Publication Date	Title	Journal
19223826	20090213	Methyl carbonium ion migration during the reaction of 4-chloro-5-methoxyl-3(2H)-pyridazinone with trifluoroethylation agents	Molecules (Basel, Switzerland)

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Related Functional Groups

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[119-39-1]
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[55271-49-3]
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[1490-44-4]
3-Chloro-6-phenoxypyridazine
[1008517-75-6]
5-(Benzyloxy)-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.0039551
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.0039551
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3