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Details

Stereochemistry RACEMIC
Molecular Formula C17H15ClO3
Molecular Weight 302.752
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-(4-CHLOROBENZOYL) PHENOXY)BUTAN-2-ONE

SMILES

CC(OC1=CC=C(C=C1)C(=O)C2=CC=C(Cl)C=C2)C(C)=O

InChI

InChIKey=UGIBXSPOZIFSQB-UHFFFAOYSA-N
InChI=1S/C17H15ClO3/c1-11(19)12(2)21-16-9-5-14(6-10-16)17(20)13-3-7-15(18)8-4-13/h3-10,12H,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H15ClO3
Molecular Weight 302.752
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 Sat Dec 16 16:32:59 UTC 2023
Edited
by admin
on Sat Dec 16 16:32:59 UTC 2023
Record UNII
5CH8GD8WRU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-(4-CHLOROBENZOYL) PHENOXY)BUTAN-2-ONE
Systematic Name English
2-BUTANONE, 3-(4-(4-CHLOROBENZOYL)PHENOXY)-
Systematic Name English
(3RS)-3-(4-(4-CHLOROBENZOYL) PHENOXY)BUTAN-2-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
5CH8GD8WRU
Created by admin on Sat Dec 16 16:32:59 UTC 2023 , Edited by admin on Sat Dec 16 16:32:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID50733912
Created by admin on Sat Dec 16 16:32:59 UTC 2023 , Edited by admin on Sat Dec 16 16:32:59 UTC 2023
PRIMARY
CAS
217636-47-0
Created by admin on Sat Dec 16 16:32:59 UTC 2023 , Edited by admin on Sat Dec 16 16:32:59 UTC 2023
PRIMARY
PUBCHEM
60626773
Created by admin on Sat Dec 16 16:32:59 UTC 2023 , Edited by admin on Sat Dec 16 16:32:59 UTC 2023
PRIMARY
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