3-Chloro-2-nitrobenzoic acid

CAS 4771-47-5  ·  C7H4ClNO4  ·  MW 201.56 g/mol

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3D model 3-Chloro-2-nitrobenzoic acid, CAS 4771-47-5, molecular formula C7H4ClNO4, molar mass 201.56 g/mol
About 3-Chloro-2-nitrobenzoic acid

3-Chloro-2-nitrobenzoic acid is a chemical compound registered under number CAS 4771-47-5, with the molecular formula C7H4ClNO4, and a molar mass of 201.56 g/mol.

The molecule contains 17 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 3-chloro-2-nitrobenzoic 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 = 1.9 (positive value, a lipophilic compound), polar surface area PSA = 83.1 Ų, 1 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 formulaC7H4ClNO4
Masa molowa201.56 g/mol
IUPAC3-chloro-2-nitrobenzoic acid
SMILESC1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C(=O)O
InChIKeyVCHSXYHBMFKRBK-UHFFFAOYSA-N
logP (XLogP3)1.9
PSA83.1 Ų
HBD / HBA1 / 4
PubChem CIDCID 20902 ↗
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 · 6 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (15 articles)

1972: 1 articles19721990: 1 articles2006: 1 articles2010: 1 articles2011: 1 articles2012: 1 articles20122019: 1 articles2020: 1 articles2021: 1 articles2022: 2 articles2023: 3 articles2023

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

(2021) · Encyclopedia of Autism Spectrum Disorders
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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
3-CHLORO-2-NITROBENZOIC ACID · 4771-47-5 · Benzoic acid, 3-chloro-2-nitro- · EINECS 225-313-1 · RefChem:499817 · DTXCID30119750 · 225-313-1 · 3-Chloro-2-nitrobenzoicacid · MFCD00007087 · Chlornitrobenzoesaure · 3-chloro-2-nitro-benzoic acid · AKOS005254524 · CS-W002020 · AB00833 · AC-3191
Data sources
Related molecules
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📜 License & ProvenanceMolGod_License_1
Model
3-Chloro-2-nitrobenzoic acid · 4771-47-5
Licence
CC BY 4.0 International (source rights NIEUSTALONE — not yet granted)
Attribution
MolGod Scientific
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MolGod molecule record
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Source data
PubChem CID 20902 ↗
SHA-256 (STL)
1bb5e369c40201906205d7cd7dc373b3ed87fa8a776954df4fc297fb3c20cd67
Wikimedia Commons
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