Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H12ClNO3
Molecular Weight	265.692
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate

Structure Search

SMILES

CCOC(=O)C1=C(C)ON=C1C2=CC=CC=C2Cl

InChI

InChIKey=QFOIBTBRETTXIK-UHFFFAOYSA-N

InChI=1S/C13H12ClNO3/c1-3-17-13(16)11-8(2)18-15-12(11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H12ClNO3
Molecular Weight	265.692
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:28:59 GMT 2023` Edited by `admin` on `Sat Dec 16 12:28:59 GMT 2023`
Record UNII	22MQU398E8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate

Systematic Name

English

Ethyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate

Systematic Name

English

4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, ethyl ester

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

280-950-2

Created by admin on Sat Dec 16 12:28:59 GMT 2023 , Edited by admin on Sat Dec 16 12:28:59 GMT 2023

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CAS

83817-50-9

Created by admin on Sat Dec 16 12:28:59 GMT 2023 , Edited by admin on Sat Dec 16 12:28:59 GMT 2023

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PUBCHEM

3019364

Created by admin on Sat Dec 16 12:28:59 GMT 2023 , Edited by admin on Sat Dec 16 12:28:59 GMT 2023

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FDA UNII

22MQU398E8

Created by admin on Sat Dec 16 12:28:59 GMT 2023 , Edited by admin on Sat Dec 16 12:28:59 GMT 2023

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EPA CompTox

DTXSID20232700

Created by admin on Sat Dec 16 12:28:59 GMT 2023 , Edited by admin on Sat Dec 16 12:28:59 GMT 2023

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