4-nitrocatechol (C6H5NO4)

4-nitrocatechol presents a C6 framework, aromatic rings, a nitro group (formula C6H5NO4, CAS 3316-09-4). ChemicalTool Reaction can propose ranked disconnections for 4-nitrocatechol from the SMILES O=[N+]([O-])c1ccc(O)c(O)c1.

Target: 4-nitrocatechol
CAS: 3316-09-4
Formula: C6H5NO4
Approx. MW: 155.11
SMILES: O=[N+]([O-])c1ccc(O)c(O)c1
PubChem CID: 3505109
Approx. carbons: C6

4-nitrocatechol structure

Properties

Molecular weight: 155.11

View on PubChem

4-nitrocatechol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-nitrocatechol?

4-nitrocatechol has molecular formula C6H5NO4. Molecular weight about 155.11 g·mol⁻¹.

What is the CAS number of 4-nitrocatechol?

The CAS Registry Number for 4-nitrocatechol is 3316-09-4.

Run AI retrosynthesis for 4-nitrocatechol Target catalog AI tools overview

One click loads 4-nitrocatechol into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

2-Nitroresorcinol 1-Bromo-2-nitrobenzene 1-Bromo-3-nitrobenzene 1-Bromo-4-nitrobenzene 1-Chloro-3-nitrobenzene 1-Iodo-3-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.