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AAA39402

5-Fluoro-2-nitrobenzoyl chloride

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Strictly for Research Purposes only. Not for Personal or Veterinary use.

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CAS No

[394-02-5]

Product Code

AAA39402

MDL No

MFCD11500776

MOL file

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Chemical Formula

C₇H₃ClFNO₃

Molecular Weight

203.55 g/mol

Smiles

C1=CC(=C(C=C1F)C(=O)Cl)[N+](=O)[O-]

Harmonized Tariff Codes

Switzerland: 29163900 - USA: 2916394600 - Slovakia: 2916399090 - UK: 2916399090 - China: 2916399090

5-Fluoro-2-nitrobenzoyl chloride is a conformationally locked macrocyclic compound that has been synthesized by solid phase synthesis. It is found in two conformational states and can be made to switch between these two states by applying a force to the molecule. This conformation can be controlled by changing the side chain of 5-fluoro-2-nitrobenzoyl chloride, which can be done experimentally. The conformational behavior of this macrocycle was studied using molecular dynamics simulations and it was found that there are four possible conformations for the molecule. The conformations with different side chains were found to have different energies, which could be used as a measure of their relative stability.

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TSE / BSE Statement

TSE-BSE declaration 5-Fluoro-2-nitrobenzoyl chloride AAA39402

Retest Statement

Retest Statement 5-Fluoro-2-nitrobenzoyl chloride AAA39402

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compounds, solid phase, solid, conformational, molecular, phase, force, experiments, reactions, macrocyclic, synthesis, cyclization, side-chain, statistically, solid phase synthesis, compound, dipeptide, simulations, residues, macrocyclization, conformation, asparagine, structures, conformations, products, solution,

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