Methyl 4-bromobutyrate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H9BrO2
Molecular Weight	181.028
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 4-bromobutyrate

Structure Search

SMILES

COC(=O)CCCBr

InChI

InChIKey=QAWFLJGZSZIZHO-UHFFFAOYSA-N

InChI=1S/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C5H9BrO2
Molecular Weight	181.028
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	5RA3LF2EYN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 4-bromobutyrate

Systematic Name

English

Butanoic acid, 4-bromo-, methyl ester

Preferred Name

English

Methyl 4-bromobutanoate

Systematic Name

English

Code System Code Type Description

PUBCHEM

107604

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)

225-523-3

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

DTXSID50197651

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

4897-84-1

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

5RA3LF2EYN

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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