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Functional Group Calculator | IUPAC & IR Tool

Functional Group Calculator

Identify Functional Groups & IUPAC Priority

Add functional groups to analyze priority, IR frequencies, and reactivity.

Analysis Results

Functional Group IUPAC Priority IR Frequency (cm⁻¹) Reactivity

The Functional Group Calculator is a scientifically accurate, interactive tool that identifies **functional groups**, determines **IUPAC nomenclature priority**, displays **IR absorption frequencies**, and evaluates **reactivity**. Built on peer-reviewed organic chemistry standards from IUPAC and spectroscopy databases, this calculator supports molecule naming, spectral interpretation, and reaction prediction. Whether you're analyzing pesticides, designing agrochemicals, or teaching organic chemistry, this tool delivers precision and clarity. Explore sustainable chemical solutions at Agri Care Hub.

What is a Functional Group?

A **functional group** is a specific arrangement of atoms responsible for the characteristic chemical reactions of a molecule. It determines reactivity, solubility, and biological activity. The concept is central to organic chemistry and is extensively documented in Functional Group literature.

Scientific Foundation: IUPAC Priority Rules

Functional groups are ranked by **IUPAC priority** for naming:

  1. Carboxylic acids
  2. Esters
  3. Amides
  4. Nitriles
  5. Aldehydes
  6. Ketones
  7. Alcohols
  8. Amines
  9. Alkenes/Alkynes
  10. Halides

Importance of Functional Group Analysis

Critical in:

  • Pesticide Design: Triazoles, sulfonylureas, carbamates
  • Drug Discovery: Pharmacophore identification
  • Spectroscopy: IR, NMR interpretation
  • Green Chemistry: Biodegradable agrochemicals
  • Education: Teaching reactivity trends

Functional group optimization drives sustainable agriculture — a focus at Agri Care Hub.

User Guidelines

Steps:

  1. Click “+ Add Functional Group”
  2. Select group from dropdown
  3. Click “Calculate Functional Groups”
  4. View priority, IR, and reactivity

Highest priority group becomes the principal chain suffix.

When and Why to Use

Use for:

  • Naming unknown compounds
  • Predicting reaction sites
  • Interpreting IR spectra
  • Designing selective herbicides
  • Teaching organic nomenclature

Purpose of the Calculator

To make functional group analysis instant and error-free. It eliminates memorization, shows IUPAC logic, and supports rational design in research and industry.

IR Frequency Table (cm⁻¹)

  • Carboxylic Acid: 1710 (C=O), 3000–2500 (O-H)
  • Aldehyde: 1730 (C=O), 2700–2800 (C-H)
  • Ketone: 1715 (C=O)
  • Alcohol: 3200–3600 (O-H)
  • Amine: 3300–3500 (N-H)

Applications in Agriculture

Functional groups in:

  • Herbicides (glyphosate: phosphonate)
  • Fungicides (triazoles)
  • Insecticides (organophosphates)
  • Plant growth regulators (auxins)

Learn more at Agri Care Hub.

Scientific Validation

Based on:

  • IUPAC Blue Book
  • Silverstein IR Spectroscopy
  • McMurry Organic Chemistry
  • Wikipedia: Functional Group

Benefits

  • 100% accurate
  • Real-time IUPAC naming
  • Mobile-friendly
  • No login
  • SEO-optimized

Conclusion

The Functional Group Calculator is your essential tool for organic chemistry. From spectral analysis to pesticide innovation, it delivers precision and insight. Start calculating today and design smarter molecules with Agri Care Hub.

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