4-Bromoisophthalic acid (C8H5BrO4)

4-Bromoisophthalic acid (C8H5BrO4; CAS 6939-93-1) is a practical retrosynthesis target. 4-Bromoisophthalic acid presents a C8 framework, aromatic rings, a carboxylic acid. Open AI route search in one click below.

Target: 4-Bromoisophthalic acid
CAS: 6939-93-1
Formula: C8H5BrO4
Approx. MW: 245.03
SMILES: O=C(O)c1ccc(Br)c(C(=O)O)c1
PubChem CID: 81361
Approx. carbons: C8

4-Bromoisophthalic acid structure

Properties

Molecular weight: 245.03

View on PubChem

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

FAQ

What is the chemical formula of 4-Bromoisophthalic acid?

4-Bromoisophthalic acid has molecular formula C8H5BrO4. Molecular weight about 245.03 g·mol⁻¹.

What is the CAS number of 4-Bromoisophthalic acid?

The CAS Registry Number for 4-Bromoisophthalic acid is 6939-93-1.

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

Start from this SMILES and explore AI retrosynthesis routes for C8H5BrO4.

Related targets

Similar compounds

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