Roxarsone (C6H6AsNO6)

roxarsone (C6H6AsNO6; CAS 121-19-7) is a practical retrosynthesis target. roxarsone presents a C6 framework, aromatic rings, a nitro group. Open AI route search in one click below.

Target: Roxarsone
CAS: 121-19-7
Formula: C6H6AsNO6
SMILES: O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O
PubChem CID: 5104
Approx. carbons: C6

Roxarsone structure

Properties

IUPAC name: (4-hydroxy-3-nitrophenyl)arsonic acid
Common names: roxarsone; 121-19-7; 4-Hydroxy-3-nitrobenzenearsonic acid; 3-Nitro; Roxarson; Roxarsonum; Nitrophenolarsonic acid; (4-hydroxy-3-nitrophenyl)arsonic acid; 3-Nitro-4-hydroxybenzenearsonic acid; Arsonic acid, (4-hydroxy-3-nitrophenyl)-
Molecular weight: 263.04
Exact mass: 262.94
InChIKey: XMVJITFPVVRMHC-UHFFFAOYSA-N

View on PubChem

Roxarsone 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Roxarsone?

Roxarsone has molecular formula C6H6AsNO6.

What is the CAS number of Roxarsone?

The CAS Registry Number for Roxarsone is 121-19-7.

Run AI retrosynthesis for Roxarsone Target catalog AI tools overview

Open the planner with Roxarsone preloaded, then keep routes that match CAS 121-19-7.

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.