4-HYDROXYBUTYL (2,4,5-TRICHLOROPHENOXY)ACETATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H13Cl3O4
Molecular Weight	327.588
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-HYDROXYBUTYL (2,4,5-TRICHLOROPHENOXY)ACETATE

Structure Search

SMILES

OCCCCOC(=O)COC1=CC(Cl)=C(Cl)C=C1Cl

InChI

InChIKey=VXWTVROLUSKWJR-UHFFFAOYSA-N

InChI=1S/C12H13Cl3O4/c13-8-5-10(15)11(6-9(8)14)19-7-12(17)18-4-2-1-3-16/h5-6,16H,1-4,7H2

HIDE SMILES / InChI

Approval Year

Name

Type

Language

4-HYDROXYBUTYL (2,4,5-TRICHLOROPHENOXY)ACETATE

Systematic Name

English

4-HYDROXYBUTYL 2-(2,4,5-TRICHLOROPHENOXY)ACETATE

Preferred Name

English

ACETIC ACID, 2-(2,4,5-TRICHLOROPHENOXY)-, 4-HYDROXYBUTYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

520999

Created by admin on Tue Apr 01 18:49:56 GMT 2025 , Edited by admin on Tue Apr 01 18:49:56 GMT 2025

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EPA CompTox

DTXSID10193593

Created by admin on Tue Apr 01 18:49:56 GMT 2025 , Edited by admin on Tue Apr 01 18:49:56 GMT 2025

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ECHA (EC/EINECS)

254-982-2

Created by admin on Tue Apr 01 18:49:56 GMT 2025 , Edited by admin on Tue Apr 01 18:49:56 GMT 2025

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FDA UNII

NSR3LP9XWL

Created by admin on Tue Apr 01 18:49:56 GMT 2025 , Edited by admin on Tue Apr 01 18:49:56 GMT 2025

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CAS

40583-17-3

Created by admin on Tue Apr 01 18:49:56 GMT 2025 , Edited by admin on Tue Apr 01 18:49:56 GMT 2025

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SUBSTANCE RECORD


					NSR3LP9XWL

4-HYDROXYBUTYL (2,4,5-TRICHLOROPHENOXY)ACETATE