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

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

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure-activity relationships for aquatic toxicity to Tetrahymena: halogen-substituted aliphatic esters.
2001
Patents

Patents

Name Type Language
ETHYL 2-BROMOISOVALERATE
WHO-DD  
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