Ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate - CAS 81282-12-4

Catalog:	BB036639
Product Name:	Ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate
CAS:	81282-12-4
Synonyms:	ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
Description:	Ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate (CAS# 81282-12-4) is a useful research chemical compound.
Molecular Weight:	251.67
Molecular Formula:	C12H10ClNO3
Canonical SMILES:	CCOC(=O)C1=NOC(=C1)C2=CC=C(C=C2)Cl
InChI:	InChI=1S/C12H10ClNO3/c1-2-16-12(15)10-7-11(17-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChI Key:	CJQWCZKLLDAKCX-UHFFFAOYSA-N
LogP:	3.17170

Publication Number	Title	Priority Date
JP-2019201631-A	Synthesis of therapeutic microvesicles and stem cells	20180126
US-2021054344-A1	Cpc exosomes mirna373 combination therapies	20180126
US-2018273906-A1	Microvesicle and stem cell compositions for therapeutic applications	20140417
CA-2694663-A1	5-phenyl-isoxazole-3-carboxamide derivatives as trpv1 modulators	20070802
EP-2185530-A1	5-phenyl-isoxazole-3-carboxamide derivatives as trpv1 modulators	20070802

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Related Functional Groups

Isoxazoles

[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid
[883541-40-0]
3-(3-Fluorophenyl)isoxazole-5-carboxylic acid
[473253-40-6]
3-(4-Methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[618383-47-4]
3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
[903131-45-3]
5-(Boc-aminomethyl)-3-bromoisoxazole
[326829-08-7]
3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole

Complexity:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.0349209
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.0349209
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2