U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H9BrO2
Molecular Weight 241.081
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3'-BROMOISOSAFROLE

SMILES

BrC\C=C\C1=CC=C2OCOC2=C1

InChI

InChIKey=SXLQGBDEYDVFKV-OWOJBTEDSA-N
InChI=1S/C10H9BrO2/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-4,6H,5,7H2/b2-1+

HIDE SMILES / InChI

Approval Year

Name Type Language
3'-BROMOISOSAFROLE
Systematic Name English
5-(3-BROMO-1-PROPEN-1-YL)-1,3-BENZODIOXOLE
Systematic Name English
1,3-BENZODIOXOLE, 5-(3-BROMO-1-PROPEN-1-YL)-
Systematic Name English
1,3-BENZODIOXOLE, 5-(3-BROMO-1-PROPENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
7PT7CXY28D
Created by admin on Sat Dec 16 08:49:23 GMT 2023 , Edited by admin on Sat Dec 16 08:49:23 GMT 2023
PRIMARY
PUBCHEM
6434346
Created by admin on Sat Dec 16 08:49:23 GMT 2023 , Edited by admin on Sat Dec 16 08:49:23 GMT 2023
PRIMARY
CAS
42461-89-2
Created by admin on Sat Dec 16 08:49:23 GMT 2023 , Edited by admin on Sat Dec 16 08:49:23 GMT 2023
PRIMARY
CAS
67911-75-5
Created by admin on Sat Dec 16 08:49:23 GMT 2023 , Edited by admin on Sat Dec 16 08:49:23 GMT 2023
ALTERNATIVE