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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 4-CHLORO-4'-ISOPROPYLBUTYROPHENONE

SMILES

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

InChI

InChIKey=BGOQEVLEIPPQID-UHFFFAOYSA-N
InChI=1S/C13H17ClO/c1-10(2)11-5-7-12(8-6-11)13(15)4-3-9-14/h5-8,10H,3-4,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H17ClO
Molecular Weight 224.726
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 19:29:57 GMT 2025
Edited
by admin
on Tue Apr 01 19:29:57 GMT 2025
Record UNII
SZY13PY3ZI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CHLORO-4'-ISOPROPYLBUTYROPHENONE
Systematic Name English
NSC-163136
Preferred Name English
3-CHLOROPROPYL 4-ISOPROPYLPHENYL KETONE
Systematic Name English
1-BUTANONE, 4-CHLORO-1-(4-(1-METHYLETHYL)PHENYL)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
274-544-4
Created by admin on Tue Apr 01 19:29:57 GMT 2025 , Edited by admin on Tue Apr 01 19:29:57 GMT 2025
PRIMARY
CAS
70289-38-2
Created by admin on Tue Apr 01 19:29:57 GMT 2025 , Edited by admin on Tue Apr 01 19:29:57 GMT 2025
PRIMARY
NSC
163136
Created by admin on Tue Apr 01 19:29:57 GMT 2025 , Edited by admin on Tue Apr 01 19:29:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID40220543
Created by admin on Tue Apr 01 19:29:57 GMT 2025 , Edited by admin on Tue Apr 01 19:29:57 GMT 2025
PRIMARY
PUBCHEM
98744
Created by admin on Tue Apr 01 19:29:57 GMT 2025 , Edited by admin on Tue Apr 01 19:29:57 GMT 2025
PRIMARY
FDA UNII
SZY13PY3ZI
Created by admin on Tue Apr 01 19:29:57 GMT 2025 , Edited by admin on Tue Apr 01 19:29:57 GMT 2025
PRIMARY