4-Chloro-3-nitrobenzoic acid

4-Chloro-3-nitrobenzoic acid is a chemical compound registered under number CAS 96-99-1, with the molecular formula C₇H₄ClNO₄, and a molar mass of 201.56 g/mol.

The molecule contains 17 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 4-chloro-3-nitrobenzoic acid. 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 = 1.8 (positive value, a lipophilic compound), polar surface area PSA = 83.1 Ų, 1 donors and 4 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	C7H4ClNO4
Masa molowa	201.56 g/mol
IUPAC	4-chloro-3-nitrobenzoic acid
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl
InChIKey	DFXQXFGFOLXAPO-UHFFFAOYSA-N
logP (XLogP3)	1.8
PSA	83.1 Ų
HBD / HBA	1 / 4
PubChem CID	CID 7320 ↗

Signal word: Warning

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

4-CHLORO-3-NITROBENZOIC ACID · 96-99-1 · 3-Nitro-4-chlorobenzoic acid · Benzoic acid, 4-chloro-3-nitro- · NSC-8440 · 0MLZ915Q9K · RefChem:98445 · DTXCID3048994 · 202-550-9 · Kyselina 4-chloro-3-nitrobenzoova · 4-Chloro-3-nitrobenzoicAcid · MFCD00007079 · BRN 0783626 · WLN: WNR BG EVQ · SCHEMBL19334475

• 📊 PubChem CID 7320 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność