4-Chloro-2',4'-dimethoxybutyrophenone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H15ClO3
Molecular Weight	242.699
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Chloro-2',4'-dimethoxybutyrophenone

Structure Search

SMILES

COC1=CC=C(C(=O)CCCCl)C(OC)=C1

InChI

InChIKey=XWCCYSWTIUDHGA-UHFFFAOYSA-N

InChI=1S/C12H15ClO3/c1-15-9-5-6-10(12(8-9)16-2)11(14)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H15ClO3
Molecular Weight	242.699
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 20:17:19 GMT 2025` Edited by `admin` on `Tue Apr 01 20:17:19 GMT 2025`
Record UNII	9KCD774M9V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-163129

Preferred Name

English

4-Chloro-2',4'-dimethoxybutyrophenone

Systematic Name

English

3-Chloropropyl 2,4-dimethoxyphenyl ketone

Systematic Name

English

Butyrophenone, 4-chloro-2?,4?-dimethoxy-

Systematic Name

English

4-Chloro-1-(2,4-dimethoxyphenyl)-1-butanone

Systematic Name

English

1-Butanone, 4-chloro-1-(2,4-dimethoxyphenyl)-

Systematic Name

English

Code System Code Type Description

NSC

163129

Created by admin on Tue Apr 01 20:17:19 GMT 2025 , Edited by admin on Tue Apr 01 20:17:19 GMT 2025

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EPA CompTox

DTXSID00230204

Created by admin on Tue Apr 01 20:17:19 GMT 2025 , Edited by admin on Tue Apr 01 20:17:19 GMT 2025

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ECHA (EC/EINECS)

279-432-9

Created by admin on Tue Apr 01 20:17:19 GMT 2025 , Edited by admin on Tue Apr 01 20:17:19 GMT 2025

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FDA UNII

9KCD774M9V

Created by admin on Tue Apr 01 20:17:19 GMT 2025 , Edited by admin on Tue Apr 01 20:17:19 GMT 2025

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PUBCHEM

98739

Created by admin on Tue Apr 01 20:17:19 GMT 2025 , Edited by admin on Tue Apr 01 20:17:19 GMT 2025

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CAS

80269-97-2

Created by admin on Tue Apr 01 20:17:19 GMT 2025 , Edited by admin on Tue Apr 01 20:17:19 GMT 2025

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