POTASSIUM 3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H6Cl2NO3.K
Molecular Weight	310.175
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of POTASSIUM 3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE

Structure Search

SMILES

[K+].CC1=C(C([O-])=O)C(=NO1)C2=C(Cl)C=CC=C2Cl

InChI

InChIKey=GGEWUHWWTYFCLC-UHFFFAOYSA-M

InChI=1S/C11H7Cl2NO3.K/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13;/h2-4H,1H3,(H,15,16);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

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

Molecular Formula	C11H6Cl2NO3
Molecular Weight	271.076
Charge	-1
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 12:17:50 UTC 2023` Edited by `admin` on `Sat Dec 16 12:17:50 UTC 2023`
Record UNII	9E8H7956RU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

POTASSIUM 3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE

Systematic Name

English

4-ISOXAZOLECARBOXYLIC ACID, 3-(2,6-DICHLOROPHENYL)-5-METHYL-, POTASSIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

9E8H7956RU

Created by admin on Sat Dec 16 12:17:50 UTC 2023 , Edited by admin on Sat Dec 16 12:17:50 UTC 2023

PRIMARY

PUBCHEM

23662482

Created by admin on Sat Dec 16 12:17:50 UTC 2023 , Edited by admin on Sat Dec 16 12:17:50 UTC 2023

PRIMARY

EPA CompTox

DTXSID10232698

Created by admin on Sat Dec 16 12:17:50 UTC 2023 , Edited by admin on Sat Dec 16 12:17:50 UTC 2023

PRIMARY

ECHA (EC/EINECS)

280-948-1

Created by admin on Sat Dec 16 12:17:50 UTC 2023 , Edited by admin on Sat Dec 16 12:17:50 UTC 2023

PRIMARY

CAS

83817-48-5

Created by admin on Sat Dec 16 12:17:50 UTC 2023 , Edited by admin on Sat Dec 16 12:17:50 UTC 2023

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Related Record Type Details


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3-(2,6-DICHLOROPHENYL)-5-METHYL-1,2-OXAZOLE-4-CARBOXYLIC ACID

PARENT -> SALT/SOLVATE

Amount: