5-Chloro-2-methyl-6-nitro-1,3-benzoxazole

CAS 13452-16-9  ·  C8H5ClN2O3  ·  MW 212.59 g/mol

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3D model 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole, CAS 13452-16-9, molecular formula C8H5ClN2O3, molar mass 212.59 g/mol
About 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole

5-Chloro-2-methyl-6-nitro-1,3-benzoxazole is a chemical compound registered under number CAS 13452-16-9, with the molecular formula C8H5ClN2O3, and a molar mass of 212.59 g/mol.

The molecule contains 19 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is 5-chloro-2-methyl-6-nitro-1,3-benzoxazole. 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 = 2.6 (positive value, a lipophilic compound), polar surface area PSA = 71.9 Ų, 0 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.

Physicochemical properties
Molecular formulaC8H5ClN2O3
Masa molowa212.59 g/mol
IUPAC5-chloro-2-methyl-6-nitro-1,3-benzoxazole
SMILESCC1=NC2=CC(=C(C=C2O1)[N+](=O)[O-])Cl
InChIKeyHLNUPKJPTAHIEV-UHFFFAOYSA-N
logP (XLogP3)2.6
PSA71.9 Ų
HBD / HBA0 / 4
PubChem CIDCID 2764455 ↗
Scientific literature

Related literature

15 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (15 articles)

2012: 1 articles20122017: 1 articles2018: 1 articles20182024: 1 articles2025: 1 articles2025

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

Synonyms
5-chloro-2-methyl-6-nitro-1,3-benzoxazole · 13452-16-9 · RefChem:302436 · DTXCID90328482 · 5-Chloro-2-methyl-6-nitrobenzo[d]oxazole · 5-chloro-2-methyl-6-nitrobenzoxazole · MFCD00804971 · Oprea1_236152 · SCHEMBL5857203 · AKOS001483777 · s10267 · SY229643 · SBB094699 · CS-006139 · DB-022576
Data sources
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License & Provenance

MolGod 3D molecular model
5-Chloro-2-methyl-6-nitro-1,3-benzoxazole — CAS 13452-16-9

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

MolGod License & Provenance Record:
5-Chloro-2-methyl-6-nitro-1,3-benzoxazole (CAS 13452-16-9) — License & Provenance

Source:
5-Chloro-2-methyl-6-nitro-1,3-benzoxazole (CAS 13452-16-9) — MolGod molecule record

Source data: PubChem CID 2764455

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Source data: PubChem CID 2764455

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