Methyl 2-bromobutyrate

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C5H9BrO2
Molecular Weight	181.028
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 2-bromobutyrate

Structure Search

SMILES

CCC(Br)C(=O)OC

InChI

InChIKey=UFQQDNMQADCHGH-UHFFFAOYSA-N

InChI=1S/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C5H9BrO2
Molecular Weight	181.028
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 `Tue Apr 01 20:14:23 GMT 2025` Edited by `admin` on `Tue Apr 01 20:14:23 GMT 2025`
Record UNII	N8622LJU36
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 2-bromobutyrate

Systematic Name

English

NSC-21974

Preferred Name

English

Methyl 2-bromobutanoate

Systematic Name

English

Butanoic acid, 2-bromo-, methyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

N8622LJU36

Created by admin on Tue Apr 01 20:14:23 GMT 2025 , Edited by admin on Tue Apr 01 20:14:23 GMT 2025

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PUBCHEM

95577

Created by admin on Tue Apr 01 20:14:23 GMT 2025 , Edited by admin on Tue Apr 01 20:14:23 GMT 2025

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CAS

3196-15-4

Created by admin on Tue Apr 01 20:14:23 GMT 2025 , Edited by admin on Tue Apr 01 20:14:23 GMT 2025

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ECHA (EC/EINECS)

221-699-0

Created by admin on Tue Apr 01 20:14:23 GMT 2025 , Edited by admin on Tue Apr 01 20:14:23 GMT 2025

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EPA CompTox

DTXSID50863122

Created by admin on Tue Apr 01 20:14:23 GMT 2025 , Edited by admin on Tue Apr 01 20:14:23 GMT 2025

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NSC

21974

Created by admin on Tue Apr 01 20:14:23 GMT 2025 , Edited by admin on Tue Apr 01 20:14:23 GMT 2025

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