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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13ClO2
Molecular Weight 212.673
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

COC1=CC=C(C=C1)C(=O)CCCCl

InChI

InChIKey=NGBTWDPPZFGUAY-UHFFFAOYSA-N
InChI=1S/C11H13ClO2/c1-14-10-6-4-9(5-7-10)11(13)3-2-8-12/h4-7H,2-3,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H13ClO2
Molecular Weight 212.673
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 19:28:46 GMT 2025
Edited
by admin
on Tue Apr 01 19:28:46 GMT 2025
Record UNII
75J6G927RQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-73121
Preferred Name English
4-Chloro-4?-methoxybutyrophenone
Systematic Name English
1-Butanone, 4-chloro-1-(4-methoxyphenyl)-
Systematic Name English
4-Chloro-1-(4-methoxyphenyl)-1-butanone
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
255-125-5
Created by admin on Tue Apr 01 19:28:46 GMT 2025 , Edited by admin on Tue Apr 01 19:28:46 GMT 2025
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NSC
73121
Created by admin on Tue Apr 01 19:28:46 GMT 2025 , Edited by admin on Tue Apr 01 19:28:46 GMT 2025
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FDA UNII
75J6G927RQ
Created by admin on Tue Apr 01 19:28:46 GMT 2025 , Edited by admin on Tue Apr 01 19:28:46 GMT 2025
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PUBCHEM
96414
Created by admin on Tue Apr 01 19:28:46 GMT 2025 , Edited by admin on Tue Apr 01 19:28:46 GMT 2025
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CAS
40877-19-8
Created by admin on Tue Apr 01 19:28:46 GMT 2025 , Edited by admin on Tue Apr 01 19:28:46 GMT 2025
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EPA CompTox
DTXSID50193855
Created by admin on Tue Apr 01 19:28:46 GMT 2025 , Edited by admin on Tue Apr 01 19:28:46 GMT 2025
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