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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13ClO
Molecular Weight 196.673
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloro-4?-methylbutyrophenone

SMILES

CC1=CC=C(C=C1)C(=O)CCCCl

InChI

InChIKey=FUHGFUBJUUFMSF-UHFFFAOYSA-N
InChI=1S/C11H13ClO/c1-9-4-6-10(7-5-9)11(13)3-2-8-12/h4-7H,2-3,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H13ClO
Molecular Weight 196.673
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 17:58:17 GMT 2025
Edited
by admin
on Tue Apr 01 17:58:17 GMT 2025
Record UNII
LGT6F64EMP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Chloro-4?-methylbutyrophenone
Systematic Name English
NSC-163137
Preferred Name English
4-Chloro-1-(4-methylphenyl)butan-1-one
Systematic Name English
1-Butanone, 4-chloro-1-(4-methylphenyl)-
Systematic Name English
4-Chloro-1-(p-tolyl)butan-1-one
Systematic Name English
Code System Code Type Description
FDA UNII
LGT6F64EMP
Created by admin on Tue Apr 01 17:58:17 GMT 2025 , Edited by admin on Tue Apr 01 17:58:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID70191757
Created by admin on Tue Apr 01 17:58:17 GMT 2025 , Edited by admin on Tue Apr 01 17:58:17 GMT 2025
PRIMARY
NSC
163137
Created by admin on Tue Apr 01 17:58:17 GMT 2025 , Edited by admin on Tue Apr 01 17:58:17 GMT 2025
PRIMARY
CAS
38425-26-2
Created by admin on Tue Apr 01 17:58:17 GMT 2025 , Edited by admin on Tue Apr 01 17:58:17 GMT 2025
PRIMARY
ECHA (EC/EINECS)
253-924-3
Created by admin on Tue Apr 01 17:58:17 GMT 2025 , Edited by admin on Tue Apr 01 17:58:17 GMT 2025
PRIMARY
PUBCHEM
98745
Created by admin on Tue Apr 01 17:58:17 GMT 2025 , Edited by admin on Tue Apr 01 17:58:17 GMT 2025
PRIMARY