4-Bromobenzoic acid (C7H5BrO2)

4-Bromobenzoic acid (C7H5BrO2; CAS 586-76-5) is a practical retrosynthesis target. 4-Bromobenzoic acid presents a C7 framework, aromatic rings, a carboxylic acid. Open AI route search in one click below.

Target: 4-Bromobenzoic acid
CAS: 586-76-5
Formula: C7H5BrO2
Approx. MW: 201.02
SMILES: O=C(O)c1ccc(Br)cc1
PubChem CID: 11464
Approx. carbons: C7

4-Bromobenzoic acid structure

Properties

Molecular weight: 201.02

View on PubChem

4-Bromobenzoic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Bromobenzoic acid?

4-Bromobenzoic acid has molecular formula C7H5BrO2. Molecular weight about 201.02 g·mol⁻¹.

What is the CAS number of 4-Bromobenzoic acid?

The CAS Registry Number for 4-Bromobenzoic acid is 586-76-5.

Run AI retrosynthesis for 4-Bromobenzoic acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C7H5BrO2.

Related targets

Similar compounds

4-(Chlorosulfonyl)benzoic acid 4-Bromo-2-chlorobenzoic acid 4-Fluorobenzoic Acid Tetrafluorobenzoic acid [3-(trifluoromethyl)phenyl]acetic acid 2-(2-Chlorophenoxy)propanoic acid

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References & tools

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