Ethyl 3-bromobenzoate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9BrO2
Molecular Weight	229.071
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 3-bromobenzoate

Structure Search

SMILES

CCOC(=O)C1=CC=CC(Br)=C1

InChI

InChIKey=QAUASTLEZAPQTB-UHFFFAOYSA-N

InChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H9BrO2
Molecular Weight	229.071
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 `Wed Apr 02 10:21:27 GMT 2025` Edited by `admin` on `Wed Apr 02 10:21:27 GMT 2025`
Record UNII	U8S6ZA5URZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzoic acid, 3-bromo-, ethyl ester

Preferred Name

English

Ethyl 3-bromobenzoate

Systematic Name

English

Ethyl m-bromobenzoate

Systematic Name

English

Code System Code Type Description

PUBCHEM

90488

Created by admin on Wed Apr 02 10:21:27 GMT 2025 , Edited by admin on Wed Apr 02 10:21:27 GMT 2025

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CAS

24398-88-7

Created by admin on Wed Apr 02 10:21:27 GMT 2025 , Edited by admin on Wed Apr 02 10:21:27 GMT 2025

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EPA CompTox

DTXSID40179143

Created by admin on Wed Apr 02 10:21:27 GMT 2025 , Edited by admin on Wed Apr 02 10:21:27 GMT 2025

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ECHA (EC/EINECS)

246-223-9

Created by admin on Wed Apr 02 10:21:27 GMT 2025 , Edited by admin on Wed Apr 02 10:21:27 GMT 2025

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FDA UNII

U8S6ZA5URZ

Created by admin on Wed Apr 02 10:21:27 GMT 2025 , Edited by admin on Wed Apr 02 10:21:27 GMT 2025

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