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Details

Stereochemistry RACEMIC
Molecular Formula C10H8BrClO3
Molecular Weight 291.526
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Bromo-3-(4-chlorobenzoyl)propionic acid

SMILES

OC(=O)CC(Br)C(=O)C1=CC=C(Cl)C=C1

InChI

InChIKey=IGOYRYSKKLREIH-UHFFFAOYSA-N
InChI=1S/C10H8BrClO3/c11-8(5-9(13)14)10(15)6-1-3-7(12)4-2-6/h1-4,8H,5H2,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C10H8BrClO3
Molecular Weight 291.526
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:31:17 GMT 2025
Edited
by admin
on Wed Apr 02 10:31:17 GMT 2025
Record UNII
NU2P9MWP2Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Bromo-3-(4-chlorobenzoyl)propionic acid
Systematic Name English
3-Bromo-3-(p-chlorobenzoyl)propionic acid
Preferred Name English
Benzenebutanoic acid, ?-bromo-4-chloro-?-oxo-
Systematic Name English
?-Bromo-4-chloro-?-oxobenzenebutanoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
NU2P9MWP2Q
Created by admin on Wed Apr 02 10:31:17 GMT 2025 , Edited by admin on Wed Apr 02 10:31:17 GMT 2025
PRIMARY
CAS
35158-39-5
Created by admin on Wed Apr 02 10:31:17 GMT 2025 , Edited by admin on Wed Apr 02 10:31:17 GMT 2025
PRIMARY
PUBCHEM
169666
Created by admin on Wed Apr 02 10:31:17 GMT 2025 , Edited by admin on Wed Apr 02 10:31:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID90956603
Created by admin on Wed Apr 02 10:31:17 GMT 2025 , Edited by admin on Wed Apr 02 10:31:17 GMT 2025
PRIMARY