Tox21_303713 (C6H4Br2N2O2)

Looking for routes to Tox21_303713? Tox21_303713 presents a C6 framework, aromatic rings, a nitro group. Use the planner with prefilled SMILES, or copy Nc1c(Br)cc([N+](=O)[O-])cc1Br (CAS 827-94-1).

Target: Tox21_303713
CAS: 827-94-1
Formula: C6H4Br2N2O2
Approx. MW: 295.92
SMILES: Nc1c(Br)cc([N+](=O)[O-])cc1Br
PubChem CID: 13231
Approx. carbons: C6

Tox21_303713 structure

Properties

Molecular weight: 295.92

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Tox21_303713 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Tox21_303713?

Tox21_303713 has molecular formula C6H4Br2N2O2. Molecular weight about 295.92 g·mol⁻¹.

What is the CAS number of Tox21_303713?

The CAS Registry Number for Tox21_303713 is 827-94-1.

Run AI retrosynthesis for Tox21_303713 Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H4Br2N2O2.

Related targets

Similar compounds

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

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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.