ETHYL 2-BROMOISOVALERATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C7H13BrO2
Molecular Weight	209.081
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL 2-BROMOISOVALERATE

Structure Search

SMILES

CCOC(=O)C(Br)C(C)C

InChI

InChIKey=WNFUWONOILPKNX-UHFFFAOYSA-N

InChI=1S/C7H13BrO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C7H13BrO2
Molecular Weight	209.081
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed
Structure-activity relationships for aquatic toxicity to Tetrahymena: halogen-substituted aliphatic esters.	2001	11345545

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:46:54 GMT 2023` Edited by `admin` on `Sat Dec 16 01:46:54 GMT 2023`
Record UNII	4J9877130M
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ETHYL 2-BROMOISOVALERATE

Systematic Name

English

ETHYL ALPHA-BROMOISOVALERATE

Systematic Name

English

ETHYL .ALPHA.-BROMOISOVALERATE

Systematic Name

English

NSC-8866

Code

English

BUTYRIC ACID, 2-BROMO-3-METHYL-, ETHYL ESTER

Systematic Name

English

2-BROMO-3-METHYLBUTANOIC ACID ETHYL ESTER

Systematic Name

English

Ethyl 2-bromoisovalerate [WHO-DD]

Common Name

English

Code System Code Type Description

NSC

8866

Created by admin on Sat Dec 16 01:46:54 GMT 2023 , Edited by admin on Sat Dec 16 01:46:54 GMT 2023

PRIMARY

PUBCHEM

79068

Created by admin on Sat Dec 16 01:46:54 GMT 2023 , Edited by admin on Sat Dec 16 01:46:54 GMT 2023

PRIMARY

FDA UNII

4J9877130M

Created by admin on Sat Dec 16 01:46:54 GMT 2023 , Edited by admin on Sat Dec 16 01:46:54 GMT 2023

PRIMARY

SMS_ID

100000144855

Created by admin on Sat Dec 16 01:46:54 GMT 2023 , Edited by admin on Sat Dec 16 01:46:54 GMT 2023

PRIMARY

EPA CompTox

DTXSID20870681

Created by admin on Sat Dec 16 01:46:54 GMT 2023 , Edited by admin on Sat Dec 16 01:46:54 GMT 2023

PRIMARY

EVMPD

SUB121733

Created by admin on Sat Dec 16 01:46:54 GMT 2023 , Edited by admin on Sat Dec 16 01:46:54 GMT 2023

PRIMARY

ECHA (EC/EINECS)

210-178-3

Created by admin on Sat Dec 16 01:46:54 GMT 2023 , Edited by admin on Sat Dec 16 01:46:54 GMT 2023

PRIMARY

CAS

609-12-1

Created by admin on Sat Dec 16 01:46:54 GMT 2023 , Edited by admin on Sat Dec 16 01:46:54 GMT 2023

PRIMARY