Butanoic acid, 2-bromo-, methyl ester

Butanoic acid, 2-bromo-, methyl ester is a chemical compound registered under number CAS 3196-15-4, with the molecular formula C₅H₉BrO₂, and a molar mass of 181.03 g/mol.

The molecule contains 17 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is methyl 2-bromobutanoate. 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 = 26.3 Ų, 0 donors and 2 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	C5H9BrO2
Masa molowa	181.03 g/mol
IUPAC	methyl 2-bromobutanoate
SMILES	CCC(C(=O)OC)Br
InChIKey	UFQQDNMQADCHGH-UHFFFAOYSA-N
logP (XLogP3)	1.8
PSA	26.3 Ų
HBD / HBA	0 / 2
PubChem CID	CID 95577 ↗

Signal word: Danger

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

Methyl 2-bromobutyrate · 3196-15-4 · Methyl 2-bromobutanoate · Butanoic acid, 2-bromo-, methyl ester · EINECS 221-699-0 · NSC 21974 · RefChem:571365 · DTXCID90811788 · 221-699-0 · 2-Bromobutyric Acid Methyl Ester · METHYL2-BROMOBUTYRATE · MFCD00009666 · NSC-21974 · Methyl-2-bromobutyrate · alpha-bromobutyric acid methyl ester

• 📊 PubChem CID 95577 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność