5-Iodovanillin (C8H7IO3)

5-Iodovanillin presents a C8 framework, aromatic rings, halogen substitution (formula C8H7IO3, CAS 5438-36-8). ChemicalHelper Reaction can propose ranked disconnections for 5-Iodovanillin from the SMILES COc1cc(C=O)cc(I)c1O.

Target: 5-Iodovanillin
CAS: 5438-36-8
Formula: C8H7IO3
Approx. MW: 278.04
SMILES: COc1cc(C=O)cc(I)c1O
PubChem CID: 79499
Approx. carbons: C8

5-Iodovanillin structure

Properties

Molecular weight: 278.04

View on PubChem

5-Iodovanillin 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 5-Iodovanillin?

5-Iodovanillin has molecular formula C8H7IO3. Molecular weight about 278.04 g·mol⁻¹.

What is the CAS number of 5-Iodovanillin?

The CAS Registry Number for 5-Iodovanillin is 5438-36-8.

Run AI retrosynthesis for 5-Iodovanillin Target catalog AI tools overview

Open the planner with 5-Iodovanillin preloaded, then keep routes that match CAS 5438-36-8.

Related targets

Similar compounds

(1-Bromoethyl)benzene (2-Chloroethoxy)benzene (2-Chloroethyl)benzene (Chloroethynyl)benzene [(2-Chloroethyl)sulfonyl]benzene 1-(3-Bromo-4-fluorophenyl)ethanone

Browse the full target catalog

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.