3-(3-Bromo-4-fluorophenyl)-2-propenoic acid

CAS 160434-49-1  ·  C9H6BrFO2  ·  MW 245.04 g/mol

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3D model 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid, CAS 160434-49-1, molecular formula C9H6BrFO2, molar mass 245.04 g/mol
About 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid

3-(3-Bromo-4-fluorophenyl)-2-propenoic acid is a chemical compound registered under number CAS 160434-49-1, with the molecular formula C9H6BrFO2, and a molar mass of 245.04 g/mol.

The molecule contains 19 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is 3-(3-bromo-4-fluorophenyl)prop-2-enoic 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 = 2.7 (positive value, a lipophilic compound), polar surface area PSA = 37.3 Ų, 1 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.

Physicochemical properties
Molecular formulaC9H6BrFO2
Masa molowa245.04 g/mol
IUPAC3-(3-bromo-4-fluorophenyl)prop-2-enoic acid
SMILESC1=CC(=C(C=C1C=CC(=O)O)Br)F
InChIKeyZNIGVADAKXOMQH-UHFFFAOYSA-N
logP (XLogP3)2.7
PSA37.3 Ų
HBD / HBA1 / 3
PubChem CIDCID 688311 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

15 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (15 articles)

1904: 1 articles19042011: 1 articles2021: 1 articles2022: 1 articles20222023: 1 articles2024: 2 articles2025: 2 articles2025

Bar height = number of articles per year. Hover dla szczegółów.

(2011) · Musing
Cytowania: 1$ PaywallDOI ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
3-(3-BROMO-4-FLUOROPHENYL)-2-PROPENOIC ACID · RefChem:491766 · DTXCID101692611 · 160434-49-1 · 3-(3-bromo-4-fluorophenyl)prop-2-enoic acid · 3-(3-bromo-4-fluoro-phenyl)prop-2-enoic Acid · (E)-3-(3-bromo-4-fluoro-phenyl)prop-2-enoic acid · SCHEMBL290719 · ZNIGVADAKXOMQH-UHFFFAOYSA-N · AKOS028110084 · 3-(3-bromo-4-fluorophenyl)acrylic acid · 3-(3-Bromo-4-fluoro-phenyl)-acrylic acid · DB-043457
Data sources
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📜 License & provenanceMolGod_License_1
Model
3-(3-Bromo-4-fluorophenyl)-2-propenoic acid · 160434-49-1
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
3-(3-Bromo-4-fluorophenyl)-2-propenoic acid (CAS 160434-49-1) →
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Source data
PubChem CID 688311 ↗
SHA-256 (STL)
dd3eae1a73bb5312d0f048ca1af102e3caae0026559d06d6c1c08911e9dee383
Wikimedia Commons
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