3-Fluorophthalic acid (C8H5FO4)

3-Fluorophthalic acid presents a C8 framework, aromatic rings, a carboxylic acid (formula C8H5FO4, CAS 1583-67-1). ChemicalTool Reaction can propose ranked disconnections for 3-Fluorophthalic acid from the SMILES O=C(O)c1cccc(F)c1C(=O)O.

Target: 3-Fluorophthalic acid
CAS: 1583-67-1
Formula: C8H5FO4
Approx. MW: 184.12
SMILES: O=C(O)c1cccc(F)c1C(=O)O
PubChem CID: 345381
Approx. carbons: C8

3-Fluorophthalic acid structure

Properties

IUPAC name: 3-fluorophthalic acid
Common names: 3-Fluorophthalic acid; 1583-67-1; BBCQSMSCEJBIRD-UHFFFAOYSA-; RefChem:93972; 216-433-5; BBCQSMSCEJBIRD-UHFFFAOYSA-N; EINECS 216-433-5; InChI=1/C8H5FO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13); 3-Fluoro-1,2-benzenedicarboxylic acid; 1,2-Benzenedicarboxylic acid, 3-fluoro-
Molecular weight: 184.12
Exact mass: 184.02
InChIKey: BBCQSMSCEJBIRD-UHFFFAOYSA-N

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3-Fluorophthalic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-Fluorophthalic acid?

3-Fluorophthalic acid has molecular formula C8H5FO4. Molecular weight about 184.12 g·mol⁻¹.

What is the CAS number of 3-Fluorophthalic acid?

The CAS Registry Number for 3-Fluorophthalic acid is 1583-67-1.

Run AI retrosynthesis for 3-Fluorophthalic acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H5FO4.

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.