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Details

Stereochemistry ACHIRAL
Molecular Formula C13H17ClO
Molecular Weight 224.726
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-CHLOROPHENYL)-4,4-DIMETHYL-3-PENTANONE

SMILES

CC(C)(C)C(=O)CCC1=CC=C(Cl)C=C1

InChI

InChIKey=ILQGIJDYSLHIOX-UHFFFAOYSA-N
InChI=1S/C13H17ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8H,6,9H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
1-(4-Chloro-phen-yl)-4,4-dimethyl-pent-1-en-3-one.
2009-02-28
2-Amino-4-tert-butyl-5-(4-chloro-benz-yl)thia-zole.
2008-11-13
Patents

Patents

20120088770
1
Name Type Language
1-(4-CHLOROPHENYL)-4,4-DIMETHYL-3-PENTANONE
Systematic Name English
1-(4-CHLOROPHENYL)-4,4-DIMETHYL-PENTAN-3-ONE
Preferred Name English
3-PENTANONE, 1-(4-CHLOROPHENYL)-4,4-DIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
E3F88HO81Q
Created by admin on Mon Mar 31 21:06:12 GMT 2025 , Edited by admin on Mon Mar 31 21:06:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID7028300
Created by admin on Mon Mar 31 21:06:12 GMT 2025 , Edited by admin on Mon Mar 31 21:06:12 GMT 2025
PRIMARY
PUBCHEM
94617
Created by admin on Mon Mar 31 21:06:12 GMT 2025 , Edited by admin on Mon Mar 31 21:06:12 GMT 2025
PRIMARY
CAS
66346-01-8
Created by admin on Mon Mar 31 21:06:12 GMT 2025 , Edited by admin on Mon Mar 31 21:06:12 GMT 2025
PRIMARY
NIH
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