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Details

Stereochemistry RACEMIC
Molecular Formula C10H9Cl3O2
Molecular Weight 267.536
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4,4-Trichloro-3-hydroxy-1-phenyl-1-butanone

SMILES

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

InChI

InChIKey=JTJFOKGHNOVCTC-UHFFFAOYSA-N
InChI=1S/C10H9Cl3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5,9,15H,6H2

HIDE SMILES / InChI

Molecular Formula C10H9Cl3O2
Molecular Weight 267.536
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 Tue Apr 01 19:26:36 GMT 2025
Edited
by admin
on Tue Apr 01 19:26:36 GMT 2025
Record UNII
YPS3X6N6BP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-173296
Preferred Name English
4,4,4-Trichloro-3-hydroxy-1-phenyl-1-butanone
Systematic Name English
4,4,4-Trichloro-3-hydroxy-1-phenyl-1-butanone, (±)-
Systematic Name English
1-Butanone, 4,4,4-trichloro-3-hydroxy-1-phenyl-
Systematic Name English
Butyrophenone, 4,4,4-trichloro-3-hydroxy-
Systematic Name English
Code System Code Type Description
CAS
13505-41-4
Created by admin on Tue Apr 01 19:26:36 GMT 2025 , Edited by admin on Tue Apr 01 19:26:36 GMT 2025
PRIMARY
FDA UNII
YPS3X6N6BP
Created by admin on Tue Apr 01 19:26:36 GMT 2025 , Edited by admin on Tue Apr 01 19:26:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID20306016
Created by admin on Tue Apr 01 19:26:36 GMT 2025 , Edited by admin on Tue Apr 01 19:26:36 GMT 2025
PRIMARY
PUBCHEM
299847
Created by admin on Tue Apr 01 19:26:36 GMT 2025 , Edited by admin on Tue Apr 01 19:26:36 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE