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Details

Stereochemistry ACHIRAL
Molecular Formula C8H15BrO2
Molecular Weight 223.108
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPYL 5-BROMOPENTANOATE

SMILES

CC(C)OC(=O)CCCCBr

InChI

InChIKey=BNMDVZUARWALIW-UHFFFAOYSA-N
InChI=1S/C8H15BrO2/c1-7(2)11-8(10)5-3-4-6-9/h7H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H15BrO2
Molecular Weight 223.108
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 06:40:52 GMT 2025
Edited
by admin
on Wed Apr 02 06:40:52 GMT 2025
Record UNII
SDT3PBB4JZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPROPYL 5-BROMOPENTANOATE
Systematic Name English
1-METHYLETHYL 5-BROMOPENTANOATE
Preferred Name English
PENTANOIC ACID, 5-BROMO-, 1-METHYLETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
537151
Created by admin on Wed Apr 02 06:40:52 GMT 2025 , Edited by admin on Wed Apr 02 06:40:52 GMT 2025
PRIMARY
CAS
13931-38-9
Created by admin on Wed Apr 02 06:40:52 GMT 2025 , Edited by admin on Wed Apr 02 06:40:52 GMT 2025
PRIMARY
FDA UNII
SDT3PBB4JZ
Created by admin on Wed Apr 02 06:40:52 GMT 2025 , Edited by admin on Wed Apr 02 06:40:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID50336902
Created by admin on Wed Apr 02 06:40:52 GMT 2025 , Edited by admin on Wed Apr 02 06:40:52 GMT 2025
PRIMARY