Methyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H19ClO3
Molecular Weight	282.763
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate

Structure Search

SMILES

COC(=O)C(C)(C)C1=CC=C(C=C1)C(=O)CCCCl

InChI

InChIKey=ULWORPZJUIFPIC-UHFFFAOYSA-N

InChI=1S/C15H19ClO3/c1-15(2,14(18)19-3)12-8-6-11(7-9-12)13(17)5-4-10-16/h6-9H,4-5,10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C15H19ClO3
Molecular Weight	282.763
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 19:29:55 GMT 2023` Edited by `admin` on `Sat Dec 16 19:29:55 GMT 2023`
Record UNII	BB452BB5J7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate

Systematic Name

English

(4-(4-Chloro-1-oxobutyl)phenyl)-α,α-dimethylacetic acid methyl ester

Systematic Name

English

2-[4-(4-Chlorobutyryl)phenyl]-2-methylpropionic acid methyl ester

Systematic Name

English

Methyl 2-[4-(4-chlorobutyryl)phenyl]-2-methylpropanoate

Systematic Name

English

Methyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetate

Systematic Name

English

Benzeneacetic acid, 4-(4-chloro-1-oxobutyl)-α,α-dimethyl-, methyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20435032

Created by admin on Sat Dec 16 19:29:55 GMT 2023 , Edited by admin on Sat Dec 16 19:29:55 GMT 2023

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FDA UNII

BB452BB5J7

Created by admin on Sat Dec 16 19:29:55 GMT 2023 , Edited by admin on Sat Dec 16 19:29:55 GMT 2023

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PUBCHEM

10062338

Created by admin on Sat Dec 16 19:29:55 GMT 2023 , Edited by admin on Sat Dec 16 19:29:55 GMT 2023

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CAS

154477-54-0

Created by admin on Sat Dec 16 19:29:55 GMT 2023 , Edited by admin on Sat Dec 16 19:29:55 GMT 2023

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