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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 1-(2-Chloro-5-nitrophenyl)ethanone

SMILES

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

InChI

InChIKey=PNXVQYABDFYOFY-UHFFFAOYSA-N
InChI=1S/C8H6ClNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/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 Tue Apr 01 19:17:42 GMT 2025
Edited
by admin
on Tue Apr 01 19:17:42 GMT 2025
Record UNII
75Z6RD9N6N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-Chloro-5-nitrophenyl)ethan-1-one
Preferred Name English
1-(2-Chloro-5-nitrophenyl)ethanone
Systematic Name English
Ethanone, 1-(2-chloro-5-nitrophenyl)-
Systematic Name English
2?-Chloro-5?-nitroacetophenone
Systematic Name English
2-Chloro-5-nitroacetophenone
Systematic Name English
Code System Code Type Description
PUBCHEM
89996
Created by admin on Tue Apr 01 19:17:42 GMT 2025 , Edited by admin on Tue Apr 01 19:17:42 GMT 2025
PRIMARY
ECHA (EC/EINECS)
245-421-2
Created by admin on Tue Apr 01 19:17:42 GMT 2025 , Edited by admin on Tue Apr 01 19:17:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID30177658
Created by admin on Tue Apr 01 19:17:42 GMT 2025 , Edited by admin on Tue Apr 01 19:17:42 GMT 2025
PRIMARY
CAS
23082-50-0
Created by admin on Tue Apr 01 19:17:42 GMT 2025 , Edited by admin on Tue Apr 01 19:17:42 GMT 2025
PRIMARY
FDA UNII
75Z6RD9N6N
Created by admin on Tue Apr 01 19:17:42 GMT 2025 , Edited by admin on Tue Apr 01 19:17:42 GMT 2025
PRIMARY