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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H3BrClNO2
Molecular Weight 224.44
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Bromomethyl)-4-chloro-1H-pyrrole-2,5-dione

SMILES

ClC1=C(CBr)C(=O)NC1=O

InChI

InChIKey=WRKPOMIXTRWQIT-UHFFFAOYSA-N
InChI=1S/C5H3BrClNO2/c6-1-2-3(7)5(10)8-4(2)9/h1H2,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula C5H3BrClNO2
Molecular Weight 224.44
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 Sat Dec 16 09:29:45 GMT 2023
Edited
by admin
on Sat Dec 16 09:29:45 GMT 2023
Record UNII
9K4WK4NC9P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Bromomethyl)-4-chloro-1H-pyrrole-2,5-dione
Systematic Name English
1H-Pyrrole-2,5-dione, 3-(bromomethyl)-4-chloro-
Systematic Name English
Code System Code Type Description
PUBCHEM
3025985
Created by admin on Sat Dec 16 09:29:45 GMT 2023 , Edited by admin on Sat Dec 16 09:29:45 GMT 2023
PRIMARY
CAS
339152-96-4
Created by admin on Sat Dec 16 09:29:45 GMT 2023 , Edited by admin on Sat Dec 16 09:29:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID70187539
Created by admin on Sat Dec 16 09:29:45 GMT 2023 , Edited by admin on Sat Dec 16 09:29:45 GMT 2023
PRIMARY
FDA UNII
9K4WK4NC9P
Created by admin on Sat Dec 16 09:29:45 GMT 2023 , Edited by admin on Sat Dec 16 09:29:45 GMT 2023
PRIMARY