ROSACETOL

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H9Cl3O2
Molecular Weight	267.536
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ROSACETOL

Structure Search

SMILES

CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl

InChI

InChIKey=JKRWZLOCPLZZEI-UHFFFAOYSA-N

InChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3

HIDE SMILES / InChI

Molecular Formula	C10H9Cl3O2
Molecular Weight	267.536
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:48:52 GMT 2025` Edited by `admin` on `Mon Mar 31 20:48:52 GMT 2025`
Record UNII	4VE62Y0O29
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ROSACETOL

Common Name

English

NSC-165582

Preferred Name

English

ROSE CRYSTALS

Common Name

English

TRICHLOROMETHYL BENZYL ACETATE

Common Name

English

2,2,2-TRICHLORO-1-PHENYLETHYL ACETATE

Systematic Name

English

ACETIC ACID, .ALPHA.-(TRICHLOROMETHYL)BENZYL ESTER

Common Name

English

Code System Code Type Description

SMS_ID

100000166003

Created by admin on Mon Mar 31 20:48:52 GMT 2025 , Edited by admin on Mon Mar 31 20:48:52 GMT 2025

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EPA CompTox

DTXSID2047725

Created by admin on Mon Mar 31 20:48:52 GMT 2025 , Edited by admin on Mon Mar 31 20:48:52 GMT 2025

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EVMPD

SUB179953

Created by admin on Mon Mar 31 20:48:52 GMT 2025 , Edited by admin on Mon Mar 31 20:48:52 GMT 2025

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PUBCHEM

7007

Created by admin on Mon Mar 31 20:48:52 GMT 2025 , Edited by admin on Mon Mar 31 20:48:52 GMT 2025

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CAS

90-17-5

Created by admin on Mon Mar 31 20:48:52 GMT 2025 , Edited by admin on Mon Mar 31 20:48:52 GMT 2025

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DAILYMED

4VE62Y0O29

Created by admin on Mon Mar 31 20:48:52 GMT 2025 , Edited by admin on Mon Mar 31 20:48:52 GMT 2025

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FDA UNII

4VE62Y0O29

Created by admin on Mon Mar 31 20:48:52 GMT 2025 , Edited by admin on Mon Mar 31 20:48:52 GMT 2025

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NSC

165582

Created by admin on Mon Mar 31 20:48:52 GMT 2025 , Edited by admin on Mon Mar 31 20:48:52 GMT 2025

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ECHA (EC/EINECS)

201-972-0

Created by admin on Mon Mar 31 20:48:52 GMT 2025 , Edited by admin on Mon Mar 31 20:48:52 GMT 2025

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