3-(2,4-Dichlorophenyl)-5-hydroxyisoxazole - CAS 1354923-61-7

Catalog:	BB008187
Product Name:	3-(2,4-Dichlorophenyl)-5-hydroxyisoxazole
CAS:	1354923-61-7
Synonyms:	3-(2,4-dichlorophenyl)-2H-isoxazol-5-one; 3-(2,4-dichlorophenyl)-2H-1,2-oxazol-5-one

Technical Data

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Computed Properties

IUPAC Name:	3-(2,4-dichlorophenyl)-2H-1,2-oxazol-5-one
Description:	3-(2,4-Dichlorophenyl)-5-hydroxyisoxazole (CAS# 1354923-61-7 ) is a useful research chemical.
Molecular Weight:	230.05
Molecular Formula:	C9H5Cl2NO2
Canonical SMILES:	C1=CC(=C(C=C1Cl)Cl)C2=CC(=O)ON2
InChI:	InChI=1S/C9H5Cl2NO2/c10-5-1-2-6(7(11)3-5)8-4-9(13)14-12-8/h1-4,12H
InChI Key:	GCINICIBCAVPPG-UHFFFAOYSA-N
LogP:	3.35400

Publication Number	Title	Priority Date
US-2012100989-A1	3-Aryl-4-(2-thienylmethylene)isoxazol-5(4H)-ones as Fungicides	20100622
WO-2011161035-A1	3-aryl-4-(2-thienylmethylene)-isoxazol-5(4h)-ones as fungicides	20100622

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Complexity:	280
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.9697338
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.9697338
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2