3-Methylbutyl (2,4,5-trichlorophenoxy)acetate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H15Cl3O3
Molecular Weight	325.615
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate

Structure Search

SMILES

CC(C)CCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1

InChI

InChIKey=NFRJTLQGBCZKIU-UHFFFAOYSA-N

InChI=1S/C13H15Cl3O3/c1-8(2)3-4-18-13(17)7-19-12-6-10(15)9(14)5-11(12)16/h5-6,8H,3-4,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H15Cl3O3
Molecular Weight	325.615
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 `Tue Apr 01 17:17:51 GMT 2025` Edited by `admin` on `Tue Apr 01 17:17:51 GMT 2025`
Record UNII	ZB9YB63GR8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methylbutyl (2,4,5-trichlorophenoxy)acetate

Systematic Name

English

Acetic acid, 2-(2,4,5-trichlorophenoxy)-, 3-methylbutyl ester

Preferred Name

English

Code System Code Type Description

PUBCHEM

90026

Created by admin on Tue Apr 01 17:17:51 GMT 2025 , Edited by admin on Tue Apr 01 17:17:51 GMT 2025

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ECHA (EC/EINECS)

245-483-0

Created by admin on Tue Apr 01 17:17:51 GMT 2025 , Edited by admin on Tue Apr 01 17:17:51 GMT 2025

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EPA CompTox

DTXSID90177775

Created by admin on Tue Apr 01 17:17:51 GMT 2025 , Edited by admin on Tue Apr 01 17:17:51 GMT 2025

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CAS

23197-61-7

Created by admin on Tue Apr 01 17:17:51 GMT 2025 , Edited by admin on Tue Apr 01 17:17:51 GMT 2025

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FDA UNII

ZB9YB63GR8

Created by admin on Tue Apr 01 17:17:51 GMT 2025 , Edited by admin on Tue Apr 01 17:17:51 GMT 2025

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