4'-Chloro-3'-nitroacetophenone

4'-Chloro-3'-nitroacetophenone is a chemical compound registered under number CAS 5465-65-6, with the molecular formula C₈H₆ClNO₃, and a molar mass of 199.59 g/mol.

The molecule contains 19 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is 1-(4-chloro-3-nitrophenyl)ethanone. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2 (positive value, a lipophilic compound), polar surface area PSA = 62.9 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Molecular formula	C8H6ClNO3
Masa molowa	199.59 g/mol
IUPAC	1-(4-chloro-3-nitrophenyl)ethanone
SMILES	CC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChIKey	YEVPHFIFGUWSMG-UHFFFAOYSA-N
logP (XLogP3)	2
PSA	62.9 Ų
HBD / HBA	0 / 3
PubChem CID	CID 79596 ↗

Signal word: Warning

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

4'-Chloro-3'-nitroacetophenone · 1-(4-Chloro-3-nitrophenyl)ethanone · 4-Chloro-3-nitroacetophenone · Ethanone, 1-(4-chloro-3-nitrophenyl)- · Acetophenone, 4'-chloro-3'-nitro- · UNII-GKV85F2ZXL · GKV85F2ZXL · EINECS 226-769-4 · 2-chloro-5-acetylnitrobenzene · 1-acetyl-4-chloro-3-nitrobenzene · NSC-25820 · 3'-NITRO-4'-CHLOROACETOPHENONE · YEVPHFIFGUWSMG-UHFFFAOYSA- · NSC 25820 · 4-ACETYL-1-CHLORO-2-NITROBENZENE

• 📊 PubChem CID 79596 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność