2-Amino-5-chloro-3-methylbenzoic acid

CAS 20776-67-4  ·  C8H8ClNO2  ·  MW 185.61 g/mol

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3D model 2-Amino-5-chloro-3-methylbenzoic acid, CAS 20776-67-4, molecular formula C8H8ClNO2, molar mass 185.61 g/mol
About 2-Amino-5-chloro-3-methylbenzoic acid

2-Amino-5-chloro-3-methylbenzoic acid is a chemical compound registered under number CAS 20776-67-4, with the molecular formula C8H8ClNO2, and a molar mass of 185.61 g/mol.

The molecule contains 20 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is 2-amino-5-chloro-3-methylbenzoic 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 = 2.3 (positive value, a lipophilic compound), polar surface area PSA = 63.3 Ų, 2 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 formulaC8H8ClNO2
Masa molowa185.61 g/mol
IUPAC2-amino-5-chloro-3-methylbenzoic acid
SMILESCC1=CC(=CC(=C1N)C(=O)O)Cl
InChIKeyKOPXCQUAFDWYOE-UHFFFAOYSA-N
logP (XLogP3)2.3
PSA63.3 Ų
HBD / HBA2 / 3
PubChem CIDCID 11644044 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Related literature

15 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (15 articles)

2006: 2 articles20062012: 1 articles2015: 2 articles2018: 1 articles20182020: 2 articles2024: 1 articles2025: 2 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
2-Amino-5-chloro-3-methylbenzoic acid · 20776-67-4 · RefChem:85256 · DTXCID00420729 · 629-058-0 · Benzoic acid, 2-amino-5-chloro-3-methyl- · MFCD02358895 · 2-amino-5-chloro-3-methyl-benzoic Acid · 2-amino-3-methyl-5-chlorobenzoic acid · 3-METHYL-5-CHLORO-ANTHRANILIC ACID · 5-Chloro-3-methylanthranilic Acid · Oprea1_371235 · SCHEMBL219922 · SCHEMBL29917566 · 2-Amino-5-chloro-m-toluic Acid
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
2-Amino-5-chloro-3-methylbenzoic acid — CAS 20776-67-4

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

MolGod License & Provenance Record:
2-Amino-5-chloro-3-methylbenzoic acid (CAS 20776-67-4) — License & Provenance

Source:
2-Amino-5-chloro-3-methylbenzoic acid (CAS 20776-67-4) — MolGod molecule record

Source data: PubChem CID 11644044

STL: Download 3D model (406 KB)

SHA-256: 1b0931e61903c92ad4e1527aa26defcccb09376498cb861c755deec7f12cd019

Wikimedia Commons: not published yet

Source data: PubChem CID 11644044

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