3-(4-Chlorophenyl)-5-hydroxyisoxazole - CAS 862588-73-6

Catalog:	BB037873
Product Name:	3-(4-Chlorophenyl)-5-hydroxyisoxazole
CAS:	862588-73-6
Synonyms:	3-(4-chlorophenyl)-2H-isoxazol-5-one; 3-(4-chlorophenyl)-2H-1,2-oxazol-5-one

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(4-chlorophenyl)-2H-1,2-oxazol-5-one
Description:	3-(4-Chlorophenyl)-5-hydroxyisoxazole (CAS# 862588-73-6 ) is a useful research chemical.
Molecular Weight:	195.60
Molecular Formula:	C9H6ClNO2
Canonical SMILES:	C1=CC(=CC=C1C2=CC(=O)ON2)Cl
InChI:	InChI=1S/C9H6ClNO2/c10-7-3-1-6(2-4-7)8-5-9(12)13-11-8/h1-5,11H
InChI Key:	ITVJGZHBGBXTFV-UHFFFAOYSA-N
LogP:	2.70060

Publication Number	Title	Priority Date
DE-102005010770-A1	Process for the preparation of 1,4-diphenylazetidinone derivatives	20050309
AU-2005245124-A1	Method for producing 1,4-diphenyl azetidinone derivatives	20040521
CA-2567149-A1	Method for producing 1,4-diphenyl azetidinone derivatives	20040521
DE-102004025071-A1	Process for the preparation of diphenylazetidinone derivatives	20040521
DE-102004025071-B4	Process for the preparation of diphenylazetidinone derivatives	20040521

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Related Functional Groups

Oxazole/Thiazole

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[1018165-66-6]
2-[(5-(2-Furyl)isoxazol-3-yl)methoxy]acetic acid
[3973-08-8]
4-Thiazolecarboxylic acid
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[13610-81-6]
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde

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Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.0087061
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.0087061
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6