4-Bromomethyl-3-nitrobenzoic acid

4-Bromomethyl-3-nitrobenzoic acid is a chemical compound registered under number CAS 55715-03-2, with the molecular formula C₈H₆BrNO₄, and a molar mass of 260.04 g/mol.

The molecule contains 20 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is 4-(bromomethyl)-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	C8H6BrNO4
Masa molowa	260.04 g/mol
IUPAC	4-(bromomethyl)-3-nitrobenzoic acid
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr
InChIKey	QMAHVAFURJBOFV-UHFFFAOYSA-N
logP (XLogP3)	1.8
PSA	83.1 Ų
HBD / HBA	1 / 4
PubChem CID	CID 132386 ↗

Signal word: Danger

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

55715-03-2 · 4-Bromomethyl-3-nitrobenzoic acid · BNBA · RefChem:98203 · DTXCID30126742 · 4-(bromomethyl)-3-nitrobenzoic acid · MFCD00216575 · Benzoic acid, 4-(bromomethyl)-3-nitro- · 4-(Bromomethyl)-3-nitrobenzoicacid · 3-nitro-4-bromomethylbenzoic acid · 4-(bromomethyl)-3-nitro-benzoic acid · SCHEMBL40979 · CHEMBL1834878 · SCHEMBL13801545 · 3-nitro-4-bromomethyl benzoic acid

• 📊 PubChem CID 132386 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność