3-(Trifluoromethyl)benzoic acid (C8H5F3O2)

Looking for routes to 3-(Trifluoromethyl)benzoic acid? 3-(Trifluoromethyl)benzoic acid presents a C8 framework, aromatic rings, a carboxylic acid. Use the planner with prefilled SMILES, or copy O=C(O)c1cccc(C(F)(F)F)c1 (CAS 454-92-2).

Target: 3-(Trifluoromethyl)benzoic acid
CAS: 454-92-2
Formula: C8H5F3O2
Approx. MW: 190.12
SMILES: O=C(O)c1cccc(C(F)(F)F)c1
PubChem CID: 9963
Approx. carbons: C8

3-(Trifluoromethyl)benzoic acid structure

Properties

Molecular weight: 190.12

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3-(Trifluoromethyl)benzoic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-(Trifluoromethyl)benzoic acid?

3-(Trifluoromethyl)benzoic acid has molecular formula C8H5F3O2. Molecular weight about 190.12 g·mol⁻¹.

What is the CAS number of 3-(Trifluoromethyl)benzoic acid?

The CAS Registry Number for 3-(Trifluoromethyl)benzoic acid is 454-92-2.

Run AI retrosynthesis for 3-(Trifluoromethyl)benzoic acid Target catalog AI tools overview

Open the planner with 3-(Trifluoromethyl)benzoic acid preloaded, then keep routes that match CAS 454-92-2.

Related targets

Similar compounds

2-(4-Fluorophenyl)acetic acid 2-Chloro-3-methylbenzoic acid 2-Chloro-5-Methylbenzoic Acid 2-Chlorophenoxyacetic Acid 3-Bromophenylacetic acid 3-Fluorophthalic acid

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.