4,7-Dichloroisatin (CAS 18711-13-2)

4,7-Dichloroisatin (CAS 18711-13-2) is a chemical compound registered under number CAS 18711-13-2, with the molecular formula C₈H₃Cl₂NO₂, and a molar mass of 216.02 g/mol.

The molecule contains 16 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 4,7-dichloro-1H-indole-2,3-dione. 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 (positive value, a lipophilic compound), polar surface area PSA = 46.2 Ų, 1 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.

Wzór sumaryczny	C8H3Cl2NO2
Masa molowa	216.02 g/mol
IUPAC	4,7-dichloro-1H-indole-2,3-dione
SMILES	C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl
InChIKey	NUXYYWOWNFEMNH-UHFFFAOYSA-N
logP (XLogP3)	2
PSA	46.2 Ų
HBD / HBA	1 / 2
PubChem CID	CID 2734793 ↗

Sygnał: Uwaga

H302 — Działa szkodliwie po połknięciu

H319 — Działa drażniąco na oczy

4,7-Dichloroisatin · 18711-13-2 · RefChem:508233 · DTXCID20321542 · 622-637-9 · 4,7-dichloroindoline-2,3-dione · 4,7-dichloro-1H-indole-2,3-dione · MFCD00047214 · 4,7-dichloro-2,3-dihydro-1H-indole-2,3-dione · 1H-Indole-2,3-dione, 4,7-dichloro- · 4,7-Dichloro-2,3-indolinedione · SCHEMBL281619 · 4,7-Dichloroindole-2,3-dione · PS-4561 · AC-24981

• 📊 PubChem CID 2734793 — NIH
• 🔬 NIST WebBook — spektroskopia
• 💊 ChEMBL — bioaktywność

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