U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H6ClNO3
Molecular Weight 199.591
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-CHLORO-3'-NITROACETOPHENONE

SMILES

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

InChI

InChIKey=YEVPHFIFGUWSMG-UHFFFAOYSA-N
InChI=1S/C8H6ClNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C8H6ClNO3
Molecular Weight 199.591
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 Mon Mar 31 22:14:25 GMT 2025
Edited
by admin
on Mon Mar 31 22:14:25 GMT 2025
Record UNII
GKV85F2ZXL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-CHLORO-3'-NITROACETOPHENONE
Systematic Name English
NSC-25820
Preferred Name English
1-(4-CHLORO-3-NITROPHENYL)ETHANONE
Systematic Name English
ACETOPHENONE, 4'-CHLORO-3'-NITRO-
Systematic Name English
2-CHLORO-5-ACETYLNITROBENZENE
Systematic Name English
ETHANONE, 1-(4-CHLORO-3-NITROPHENYL)-
Systematic Name English
1-ACETYL-4-CHLORO-3-NITROBENZENE
Systematic Name English
3'-NITRO-4'-CHLOROACETOPHENONE
Systematic Name English
4-ACETYL-1-CHLORO-2-NITROBENZENE
Systematic Name English
Code System Code Type Description
PUBCHEM
79596
Created by admin on Mon Mar 31 22:14:25 GMT 2025 , Edited by admin on Mon Mar 31 22:14:25 GMT 2025
PRIMARY
FDA UNII
GKV85F2ZXL
Created by admin on Mon Mar 31 22:14:25 GMT 2025 , Edited by admin on Mon Mar 31 22:14:25 GMT 2025
PRIMARY
NSC
25820
Created by admin on Mon Mar 31 22:14:25 GMT 2025 , Edited by admin on Mon Mar 31 22:14:25 GMT 2025
PRIMARY
ECHA (EC/EINECS)
226-769-4
Created by admin on Mon Mar 31 22:14:25 GMT 2025 , Edited by admin on Mon Mar 31 22:14:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID0022228
Created by admin on Mon Mar 31 22:14:25 GMT 2025 , Edited by admin on Mon Mar 31 22:14:25 GMT 2025
PRIMARY
CAS
5465-65-6
Created by admin on Mon Mar 31 22:14:25 GMT 2025 , Edited by admin on Mon Mar 31 22:14:25 GMT 2025
PRIMARY