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Details

Stereochemistry ACHIRAL
Molecular Formula C14H19ClO
Molecular Weight 238.753
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-tert-Butyl-4-chlorobutyrophenone

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl

InChI

InChIKey=RLKSQLJFGCDUOX-UHFFFAOYSA-N
InChI=1S/C14H19ClO/c1-14(2,3)12-8-6-11(7-9-12)13(16)5-4-10-15/h6-9H,4-5,10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C14H19ClO
Molecular Weight 238.753
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 Mon Mar 31 18:07:37 GMT 2025
Edited
by admin
on Mon Mar 31 18:07:37 GMT 2025
Record UNII
RLE96JMU8C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TERT-BUTYL-4'-CHLORO-4-BUTYROPHENONE
Preferred Name English
4'-tert-Butyl-4-chlorobutyrophenone
Systematic Name English
1-(4-tert-Butylphenyl)-4-chloro-1-butanone
Systematic Name English
4-Chloro-4?-tert-butylbutyrophenone
Systematic Name English
4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone
Systematic Name English
1-Butanone, 4-chloro-1-[4-(1,1-dimethylethyl)phenyl]-
Systematic Name English
Butyrophenone, 4?-tert-butyl-4-chloro-
Systematic Name English
Code System Code Type Description
PUBCHEM
2723694
Created by admin on Mon Mar 31 18:07:37 GMT 2025 , Edited by admin on Mon Mar 31 18:07:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID1057745
Created by admin on Mon Mar 31 18:07:37 GMT 2025 , Edited by admin on Mon Mar 31 18:07:37 GMT 2025
PRIMARY
ECHA (EC/EINECS)
256-077-8
Created by admin on Mon Mar 31 18:07:37 GMT 2025 , Edited by admin on Mon Mar 31 18:07:37 GMT 2025
PRIMARY
CAS
43076-61-5
Created by admin on Mon Mar 31 18:07:37 GMT 2025 , Edited by admin on Mon Mar 31 18:07:37 GMT 2025
PRIMARY
FDA UNII
RLE96JMU8C
Created by admin on Mon Mar 31 18:07:37 GMT 2025 , Edited by admin on Mon Mar 31 18:07:37 GMT 2025
PRIMARY