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 3-(Bromomethyl)hexanoic acid

SMILES

CCCC(CBr)CC(O)=O

InChI

InChIKey=XUBVYXDJGCTGTL-UHFFFAOYSA-N
InChI=1S/C7H13BrO2/c1-2-3-6(5-8)4-7(9)10/h6H,2-5H2,1H3,(H,9,10)

HIDE SMILES / InChI

Approval Year

Name Type Language
3-(Bromomethyl)hexanoic acid
Systematic Name English
Hexanoic acid, 3-(bromomethyl)-
Preferred Name English
Code System Code Type Description
CAS
2650518-17-3
Created by admin on Wed Apr 02 19:11:32 GMT 2025 , Edited by admin on Wed Apr 02 19:11:32 GMT 2025
PRIMARY
PUBCHEM
124093015
Created by admin on Wed Apr 02 19:11:32 GMT 2025 , Edited by admin on Wed Apr 02 19:11:32 GMT 2025
PRIMARY
FDA UNII
QH34UJD5KT
Created by admin on Wed Apr 02 19:11:32 GMT 2025 , Edited by admin on Wed Apr 02 19:11:32 GMT 2025
PRIMARY