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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H9BrO2
Molecular Weight 217.06
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-BROMOVERATROLE

SMILES

COC1=CC=C(Br)C=C1OC

InChI

InChIKey=KBTMGSMZIKLAHN-UHFFFAOYSA-N
InChI=1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H9BrO2
Molecular Weight 217.06
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 Tue Apr 01 19:10:35 GMT 2025
Edited
by admin
on Tue Apr 01 19:10:35 GMT 2025
Record UNII
9GX67R5G8J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-BROMOVERATROLE
Systematic Name English
NSC-36284
Preferred Name English
1-BROMO-3,4-DIMETHOXYBENZENE
Systematic Name English
P-BROMOVERATROLE
Systematic Name English
4-BROMO-1,2-DIMETHOXYBENZENE
Systematic Name English
3,4-DIMETHOXYBROMOBENZENE
Common Name English
BENZENE, 4-BROMO-1,2-DIMETHOXY-
Systematic Name English
Code System Code Type Description
FDA UNII
9GX67R5G8J
Created by admin on Tue Apr 01 19:10:35 GMT 2025 , Edited by admin on Tue Apr 01 19:10:35 GMT 2025
PRIMARY
PUBCHEM
76114
Created by admin on Tue Apr 01 19:10:35 GMT 2025 , Edited by admin on Tue Apr 01 19:10:35 GMT 2025
PRIMARY
CAS
2859-78-1
Created by admin on Tue Apr 01 19:10:35 GMT 2025 , Edited by admin on Tue Apr 01 19:10:35 GMT 2025
PRIMARY
NSC
36284
Created by admin on Tue Apr 01 19:10:35 GMT 2025 , Edited by admin on Tue Apr 01 19:10:35 GMT 2025
PRIMARY
ECHA (EC/EINECS)
220-677-8
Created by admin on Tue Apr 01 19:10:35 GMT 2025 , Edited by admin on Tue Apr 01 19:10:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID1062673
Created by admin on Tue Apr 01 19:10:35 GMT 2025 , Edited by admin on Tue Apr 01 19:10:35 GMT 2025
PRIMARY