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Details

Stereochemistry ACHIRAL
Molecular Formula C11H4ClF6NO3
Molecular Weight 347.598
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-Chloro-3-nitrophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-2-buten-1-one

SMILES

[O-][N+](=O)C1=CC(=CC=C1Cl)C(=O)C=C(C(F)(F)F)C(F)(F)F

InChI

InChIKey=KAKYPTAPQSETLZ-UHFFFAOYSA-N
InChI=1S/C11H4ClF6NO3/c12-6-2-1-5(3-7(6)19(21)22)8(20)4-9(10(13,14)15)11(16,17)18/h1-4H

HIDE SMILES / InChI

Molecular Formula C11H4ClF6NO3
Molecular Weight 347.598
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 19:59:17 GMT 2025
Edited
by admin
on Tue Apr 01 19:59:17 GMT 2025
Record UNII
CQ3Q3347BN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-162185
Preferred Name English
1-(4-Chloro-3-nitrophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-2-buten-1-one
Systematic Name English
Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-
Systematic Name English
2-Buten-1-one, 1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
NSC
162185
Created by admin on Tue Apr 01 19:59:17 GMT 2025 , Edited by admin on Tue Apr 01 19:59:17 GMT 2025
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PUBCHEM
37137
Created by admin on Tue Apr 01 19:59:17 GMT 2025 , Edited by admin on Tue Apr 01 19:59:17 GMT 2025
PRIMARY
CAS
35443-91-5
Created by admin on Tue Apr 01 19:59:17 GMT 2025 , Edited by admin on Tue Apr 01 19:59:17 GMT 2025
PRIMARY
FDA UNII
CQ3Q3347BN
Created by admin on Tue Apr 01 19:59:17 GMT 2025 , Edited by admin on Tue Apr 01 19:59:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID20188935
Created by admin on Tue Apr 01 19:59:17 GMT 2025 , Edited by admin on Tue Apr 01 19:59:17 GMT 2025
PRIMARY