2,4,6-Trichlorophenyl acetoacetate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H7Cl3O3
Molecular Weight	281.52
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4,6-Trichlorophenyl acetoacetate

Structure Search

SMILES

CC(=O)CC(=O)OC1=C(Cl)C=C(Cl)C=C1Cl

InChI

InChIKey=SFXGTKMFWDFCLU-UHFFFAOYSA-N

InChI=1S/C10H7Cl3O3/c1-5(14)2-9(15)16-10-7(12)3-6(11)4-8(10)13/h3-4H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H7Cl3O3
Molecular Weight	281.52
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 19:19:02 GMT 2023` Edited by `admin` on `Sat Dec 16 19:19:02 GMT 2023`
Record UNII	9QZ8NU78DF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2,4,6-Trichlorophenyl acetoacetate

Systematic Name

English

Butanoic acid, 3-oxo-, 2,4,6-trichlorophenyl ester

Systematic Name

English

Code System Code Type Description

CAS

59225-85-3

Created by admin on Sat Dec 16 19:19:02 GMT 2023 , Edited by admin on Sat Dec 16 19:19:02 GMT 2023

PRIMARY

EPA CompTox

DTXSID00207971

Created by admin on Sat Dec 16 19:19:02 GMT 2023 , Edited by admin on Sat Dec 16 19:19:02 GMT 2023

PRIMARY

PUBCHEM

100989

Created by admin on Sat Dec 16 19:19:02 GMT 2023 , Edited by admin on Sat Dec 16 19:19:02 GMT 2023

PRIMARY

ECHA (EC/EINECS)

261-667-3

Created by admin on Sat Dec 16 19:19:02 GMT 2023 , Edited by admin on Sat Dec 16 19:19:02 GMT 2023

PRIMARY

FDA UNII

9QZ8NU78DF

Created by admin on Sat Dec 16 19:19:02 GMT 2023 , Edited by admin on Sat Dec 16 19:19:02 GMT 2023

PRIMARY