This entry presents Linuron (C9H10Cl2N2O2; CAS 330-55-2; PubChem CID 9502) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, Cl, N, O), so the model can be read without a colour key. Atomic coordinates come from the PubChem-computed 3D conformer (not an experimental crystal structure); coordinates and connectivity are unchanged.

Biological relevance: Linuron is a herbicide, and its recorded developmental toxicity makes it a useful example in pesticide toxicology (source: Wikidata Q421476, retrieved 2026-10-10).

Structure at a glance

• 25 atoms: 9 C, 10 H, 2 Cl, 2 N, 2 O

• 25 bonds: 18 single, 1 double, 6 aromatic

• One aromatic 6-membered ring

• Functional groups: one urea linkage (-N-CO-N-) and two C-Cl bonds

• One hydrogen-bond donor and two acceptors (computed)

• Fraction of sp3-hybridised (tetrahedral) carbon atoms: 0.22 (computed)

Use in teaching

• Counting task: students tally the engraved symbols (9 C, 10 H, 2 Cl, 2 N, 2 O; 25 atoms) and rebuild the formula C9H10Cl2N2O2 from the model alone.

• Aromaticity: identify the aromatic ring and the 6 bonds recorded as aromatic.

• Functional groups: find the urea linkage (-N-CO-N-) and the two C-Cl bonds on the model and name each one.

File and printing

STL mesh of 336,820 triangles, a closed (watertight) single solid. Coordinates are in ångström and STL stores no unit, so scale the model deliberately in your slicer. Measured bounding box: 8.441 × 8.46 × 5.322 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 84.4 × 84.6 × 53.2 mm. SHA-256: 9e2bd9d17cf6f378fbcc3ac38e14bfe7ce9ee380417145f64af1c39a938fa503.

Validation

• InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): XKJMBINCVNINCA-UHFFFAOYSA-N

• Molecular formula and hydrogen-bond donor/acceptor counts identical to PubChem

• Mesh: triangle count in the header equals the actual count; 0 edges not shared by exactly two triangles; 1 connected solid; SHA-256 equal to the published file

Source, licence and identifiers

Full record: molgod.org/molecule/330-55-2 · Licence and provenance record: molgod.org/licenses/stl/330-55-2 · Same file on Wikimedia Commons: File:Linuron-3D-molecular-model-engraved-CAS-330-55-2.stl

• MolGod ID: MG_290-797-782-17

• Wikidata: Q421476

• EC number: 206-356-5

• ChemSpider ID: 9130

• IUPAC name: 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea

• InChIKey: XKJMBINCVNINCA-UHFFFAOYSA-N

• SMILES: CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC

• Molar mass 249.09 g/mol (exact mass 248.0119330)

Licence: CC BY-SA 4.0 (licence text). Required attribution: "Linuron 3D model by MolGod.org — https://molgod.org/molecule/330-55-2/ — CC BY-SA 4.0".