1-Iodo-3-nitrobenzene (C6H4INO2)

Looking for routes to 1-Iodo-3-nitrobenzene? 1-Iodo-3-nitrobenzene presents a C6 framework, aromatic rings, a nitro group. Use the planner with prefilled SMILES, or copy O=[N+]([O-])c1cccc(I)c1 (CAS 645-00-1).

Target: 1-Iodo-3-nitrobenzene
CAS: 645-00-1
Formula: C6H4INO2
Approx. MW: 249.00
SMILES: O=[N+]([O-])c1cccc(I)c1
PubChem CID: 12574
Approx. carbons: C6

1-Iodo-3-nitrobenzene structure

Properties

Molecular weight: 249.00

View on PubChem

1-Iodo-3-nitrobenzene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-Iodo-3-nitrobenzene?

1-Iodo-3-nitrobenzene has molecular formula C6H4INO2. Molecular weight about 249.00 g·mol⁻¹.

What is the CAS number of 1-Iodo-3-nitrobenzene?

The CAS Registry Number for 1-Iodo-3-nitrobenzene is 645-00-1.

Run AI retrosynthesis for 1-Iodo-3-nitrobenzene Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H4INO2.

Related targets

Similar compounds

1-Iodo-4-nitrobenzene 1-Bromo-2-nitrobenzene 1-Bromo-3-nitrobenzene 1-Bromo-4-nitrobenzene 1-Chloro-3-nitrobenzene 1,2-dichloro-4-nitrobenzene

Browse the full target catalog

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.