6-bromo-3,4-dihydro-2H-1-benzopyran-4-one

CAS 49660-57-3  ·  C9H7BrO2  ·  MW 227.05 g/mol

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3D model 6-bromo-3,4-dihydro-2H-1-benzopyran-4-one, CAS 49660-57-3, molecular formula C9H7BrO2, molar mass 227.05 g/mol
About 6-bromo-3,4-dihydro-2H-1-benzopyran-4-one

6-bromo-3,4-dihydro-2H-1-benzopyran-4-one is a chemical compound registered under number CAS 49660-57-3, with the molecular formula C9H7BrO2, and a molar mass of 227.05 g/mol.

The molecule contains 19 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is 6-bromo-2,3-dihydrochromen-4-one. 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 = 2.1 (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.

Physicochemical properties
Molecular formulaC9H7BrO2
Masa molowa227.05 g/mol
IUPAC6-bromo-2,3-dihydrochromen-4-one
SMILESC1COC2=C(C1=O)C=C(C=C2)Br
InChIKeyPFLPVOXSUCCZDH-UHFFFAOYSA-N
logP (XLogP3)2.1
PSA26.3 Ų
HBD / HBA0 / 2
PubChem CIDCID 4197451 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

Scientific literature

Related literature

14 articles · 6 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (14 articles)

1990: 1 articles19901992: 1 articles1997: 1 articles2003: 1 articles2016: 1 articles2017: 2 articles20172018: 1 articles2021: 1 articles2022: 1 articles2024: 1 articles2025: 2 articles2025

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

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

Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
6-bromo-3,4-dihydro-2H-1-benzopyran-4-one — CAS 49660-57-3

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
6-bromo-3,4-dihydro-2H-1-benzopyran-4-one (CAS 49660-57-3) — License & Provenance

Source:
6-bromo-3,4-dihydro-2H-1-benzopyran-4-one (CAS 49660-57-3) — MolGod molecule record

Source data: PubChem CID 4197451

STL: Download 3D model (391 KB)

SHA-256: f5554d09384a1106d4962fcc02c5bb774727df5174a2caf6efdd7de11f112c11

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Source data: PubChem CID 4197451

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